Chlorine in PDB 5qfn: Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A

Protein crystallography data

Chlorine Binding Sites:

Chlorine binding site 1 out of 6 in 5qfn

Chlorine Binding Sites List in 5qfn

Chlorine binding site 1 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:45.7 occ:0.18 CL15 A:JOV401 0.0 45.7 0.2 CL15 A:JOV401 0.0 45.7 0.2 C13 A:JOV401 1.6 41.8 0.2 C13 A:JOV401 1.6 41.8 0.2 C14 A:JOV401 2.6 38.1 0.2 C14 A:JOV401 2.6 38.1 0.2 C12 A:JOV401 2.6 32.8 0.2 C12 A:JOV401 2.6 32.8 0.2 H141 A:JOV401 2.7 45.7 0.2 H141 A:JOV401 2.7 45.7 0.2 H121 A:JOV401 2.8 39.3 0.2 H121 A:JOV401 2.8 39.3 0.2 HD3 A:ARG169 2.9 48.0 0.3 HD3 A:ARG169 2.9 48.0 0.3 HB3 A:LYS103 3.2 33.1 0.3 HB3 A:LYS103 3.2 33.1 0.3 NE A:ARG169 3.2 39.6 0.3 NE A:ARG169 3.2 39.6 0.3 HD3 A:LYS103 3.3 50.6 0.2 HD3 A:LYS103 3.3 50.6 0.2 HB3 A:LYS103 3.3 37.5 0.2 HB3 A:LYS103 3.3 37.5 0.2 CZ A:ARG169 3.4 45.2 0.3 CZ A:ARG169 3.4 45.2 0.3 NE A:ARG169 3.4 44.7 0.2 NE A:ARG169 3.4 44.7 0.2 CZ A:ARG169 3.4 46.2 0.2 CZ A:ARG169 3.4 46.2 0.2 HD3 A:ARG169 3.4 48.5 0.2 HD3 A:ARG169 3.4 48.5 0.2 HE A:ARG169 3.5 47.5 0.3 HE A:ARG169 3.5 47.5 0.3 HG2 A:LYS103 3.5 34.0 0.3 HG2 A:LYS103 3.5 34.0 0.3 O A:HOH529 3.5 43.4 1.0 CD A:ARG169 3.5 40.0 0.3 CD A:ARG169 3.5 40.0 0.3 HE A:ARG169 3.5 53.6 0.2 HE A:ARG169 3.5 53.6 0.2 HA A:LYS103 3.7 28.6 0.2 HA A:LYS103 3.7 28.6 0.2 HG2 A:LYS103 3.7 41.8 0.2 HG2 A:LYS103 3.7 41.8 0.2 NH2 A:ARG169 3.7 50.1 0.2 NH2 A:ARG169 3.7 50.1 0.2 NH1 A:ARG169 3.7 33.4 0.3 NH1 A:ARG169 3.7 33.4 0.3 HA A:LYS103 3.7 28.6 0.3 HA A:LYS103 3.7 28.6 0.3 HH11 A:ARG169 3.8 40.1 0.3 HH11 A:ARG169 3.8 40.1 0.3 NH1 A:ARG169 3.8 36.6 0.2 NH1 A:ARG169 3.8 36.6 0.2 C09 A:JOV401 3.8 41.2 0.2 C09 A:JOV401 3.8 41.2 0.2 HH21 A:ARG169 3.9 60.1 0.2 HH21 A:ARG169 3.9 60.1 0.2 C11 A:JOV401 3.9 30.3 0.2 C11 A:JOV401 3.9 30.3 0.2 NH2 A:ARG169 3.9 36.0 0.3 NH2 A:ARG169 3.9 36.0 0.3 HD3 A:LYS103 3.9 32.3 0.3 HD3 A:LYS103 3.9 32.3 0.3 CB A:LYS103 3.9 27.6 0.3 CB A:LYS103 3.9 27.6 0.3 CD A:ARG169 4.0 40.4 0.2 CD A:ARG169 4.0 40.4 0.2 CB A:LYS103 4.0 31.2 0.2 CB A:LYS103 4.0 31.2 0.2 HE3 A:LYS103 4.0 57.9 0.3 HE3 A:LYS103 4.0 57.9 0.3 HH11 A:ARG169 4.0 44.0 0.2 HH11 A:ARG169 4.0 44.0 0.2 CG A:LYS103 4.0 28.3 0.3 CG A:LYS103 4.0 28.3 0.3 HE3 A:LYS103 4.0 53.4 0.2 HE3 A:LYS103 4.0 53.4 0.2 HH21 A:ARG169 4.0 43.1 0.3 HH21 A:ARG169 4.0 43.1 0.3 CD A:LYS103 4.0 42.1 0.2 CD A:LYS103 4.0 42.1 0.2 CG A:LYS103 4.1 34.8 0.2 CG A:LYS103 4.1 34.8 0.2 HH22 A:ARG169 4.1 60.1 0.2 HH22 A:ARG169 4.1 60.1 0.2 HD2 A:ARG169 4.2 48.0 0.3 HD2 A:ARG169 4.2 48.0 0.3 HH12 A:ARG169 4.2 40.1 0.3 HH12 A:ARG169 4.2 40.1 0.3 HH12 A:ARG169 4.2 44.0 0.2 HH12 A:ARG169 4.2 44.0 0.2 HG2 A:ARG169 4.2 63.6 0.3 HG2 A:ARG169 4.2 63.6 0.3 CA A:LYS103 4.3 23.9 0.2 CA A:LYS103 4.3 23.9 0.2 HH22 A:ARG169 4.3 43.1 0.3 HH22 A:ARG169 4.3 43.1 0.3 CA A:LYS103 4.3 23.8 0.3 CA A:LYS103 4.3 23.8 0.3 CD A:LYS103 4.4 26.9 0.3 CD A:LYS103 4.4 26.9 0.3 C10 A:JOV401 4.4 43.3 0.2 C10 A:JOV401 4.4 43.3 0.2 CG A:ARG169 4.5 53.0 0.3 CG A:ARG169 4.5 53.0 0.3 CE A:LYS103 4.6 44.5 0.2 CE A:LYS103 4.6 44.5 0.2 O A:LYS103 4.6 23.8 0.3 O A:LYS103 4.6 23.8 0.3 HG2 A:ARG169 4.6 30.6 0.2 HG2 A:ARG169 4.6 30.6 0.2 HD2 A:ARG169 4.7 48.5 0.2 HD2 A:ARG169 4.7 48.5 0.2 CE A:LYS103 4.7 48.3 0.3 CE A:LYS103 4.7 48.3 0.3 O A:LYS103 4.7 28.4 0.2 O A:LYS103 4.7 28.4 0.2 H111 A:JOV401 4.7 36.3 0.2 H111 A:JOV401 4.7 36.3 0.2 H061 A:JOV401 4.7 53.0 0.2 H061 A:JOV401 4.7 53.0 0.2 HB2 A:LYS103 4.7 33.1 0.3 HB2 A:LYS103 4.7 33.1 0.3 C A:LYS103 4.8 23.3 0.2 C A:LYS103 4.8 23.3 0.2 HZ1 A:LYS103 4.8 66.6 0.2 HZ1 A:LYS103 4.8 66.6 0.2 C A:LYS103 4.8 23.0 0.3 C A:LYS103 4.8 23.0 0.3 HD2 A:LYS103 4.8 50.6 0.2 HD2 A:LYS103 4.8 50.6 0.2 HB2 A:LYS103 4.9 37.5 0.2 HB2 A:LYS103 4.9 37.5 0.2 O A:HOH639 4.9 26.1 1.0 CG A:ARG169 4.9 25.5 0.2 CG A:ARG169 4.9 25.5 0.2 HG3 A:ARG169 4.9 63.6 0.3 HG3 A:ARG169 4.9 63.6 0.3 HG3 A:LYS103 4.9 34.0 0.3 HG3 A:LYS103 4.9 34.0 0.3 C07 A:JOV401 5.0 44.1 0.2 C07 A:JOV401 5.0 44.1 0.2

Chlorine binding site 2 out of 6 in 5qfn

Chlorine Binding Sites List in 5qfn

Chlorine binding site 2 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:45.7 occ:0.18 CL15 A:JOV401 0.0 45.7 0.2 CL15 A:JOV401 0.0 45.7 0.2 C13 A:JOV401 1.6 41.8 0.2 C13 A:JOV401 1.6 41.8 0.2 C14 A:JOV401 2.6 38.1 0.2 C14 A:JOV401 2.6 38.1 0.2 C12 A:JOV401 2.6 32.8 0.2 C12 A:JOV401 2.6 32.8 0.2 H141 A:JOV401 2.7 45.7 0.2 H141 A:JOV401 2.7 45.7 0.2 H121 A:JOV401 2.8 39.3 0.2 H121 A:JOV401 2.8 39.3 0.2 HD3 A:ARG169 2.9 48.0 0.3 HD3 A:ARG169 2.9 48.0 0.3 HB3 A:LYS103 3.2 33.1 0.3 HB3 A:LYS103 3.2 33.1 0.3 NE A:ARG169 3.2 39.6 0.3 NE A:ARG169 3.2 39.6 0.3 HD3 A:LYS103 3.3 50.6 0.2 HD3 A:LYS103 3.3 50.6 0.2 HB3 A:LYS103 3.3 37.5 0.2 HB3 A:LYS103 3.3 37.5 0.2 CZ A:ARG169 3.4 45.2 0.3 CZ A:ARG169 3.4 45.2 0.3 NE A:ARG169 3.4 44.7 0.2 NE A:ARG169 3.4 44.7 0.2 CZ A:ARG169 3.4 46.2 0.2 CZ A:ARG169 3.4 46.2 0.2 HD3 A:ARG169 3.4 48.5 0.2 HD3 A:ARG169 3.4 48.5 0.2 HE A:ARG169 3.5 47.5 0.3 HE A:ARG169 3.5 47.5 0.3 HG2 A:LYS103 3.5 34.0 0.3 HG2 A:LYS103 3.5 34.0 0.3 O A:HOH529 3.5 43.4 1.0 CD A:ARG169 3.5 40.0 0.3 CD A:ARG169 3.5 40.0 0.3 HE A:ARG169 3.5 53.6 0.2 HE A:ARG169 3.5 53.6 0.2 HA A:LYS103 3.7 28.6 0.2 HA A:LYS103 3.7 28.6 0.2 HG2 A:LYS103 3.7 41.8 0.2 HG2 A:LYS103 3.7 41.8 0.2 NH2 A:ARG169 3.7 50.1 0.2 NH2 A:ARG169 3.7 50.1 0.2 NH1 A:ARG169 3.7 33.4 0.3 NH1 A:ARG169 3.7 33.4 0.3 HA A:LYS103 3.7 28.6 0.3 HA A:LYS103 3.7 28.6 0.3 HH11 A:ARG169 3.8 40.1 0.3 HH11 A:ARG169 3.8 40.1 0.3 NH1 A:ARG169 3.8 36.6 0.2 NH1 A:ARG169 3.8 36.6 0.2 C09 A:JOV401 3.8 41.2 0.2 C09 A:JOV401 3.8 41.2 0.2 HH21 A:ARG169 3.9 60.1 0.2 HH21 A:ARG169 3.9 60.1 0.2 C11 A:JOV401 3.9 30.3 0.2 C11 A:JOV401 3.9 30.3 0.2 NH2 A:ARG169 3.9 36.0 0.3 NH2 A:ARG169 3.9 36.0 0.3 HD3 A:LYS103 3.9 32.3 0.3 HD3 A:LYS103 3.9 32.3 0.3 CB A:LYS103 3.9 27.6 0.3 CB A:LYS103 3.9 27.6 0.3 CD A:ARG169 4.0 40.4 0.2 CD A:ARG169 4.0 40.4 0.2 CB A:LYS103 4.0 31.2 0.2 CB A:LYS103 4.0 31.2 0.2 HE3 A:LYS103 4.0 57.9 0.3 HE3 A:LYS103 4.0 57.9 0.3 HH11 A:ARG169 4.0 44.0 0.2 HH11 A:ARG169 4.0 44.0 0.2 CG A:LYS103 4.0 28.3 0.3 CG A:LYS103 4.0 28.3 0.3 HE3 A:LYS103 4.0 53.4 0.2 HE3 A:LYS103 4.0 53.4 0.2 HH21 A:ARG169 4.0 43.1 0.3 HH21 A:ARG169 4.0 43.1 0.3 CD A:LYS103 4.0 42.1 0.2 CD A:LYS103 4.0 42.1 0.2 CG A:LYS103 4.1 34.8 0.2 CG A:LYS103 4.1 34.8 0.2 HH22 A:ARG169 4.1 60.1 0.2 HH22 A:ARG169 4.1 60.1 0.2 HD2 A:ARG169 4.2 48.0 0.3 HD2 A:ARG169 4.2 48.0 0.3 HH12 A:ARG169 4.2 40.1 0.3 HH12 A:ARG169 4.2 40.1 0.3 HH12 A:ARG169 4.2 44.0 0.2 HH12 A:ARG169 4.2 44.0 0.2 HG2 A:ARG169 4.2 63.6 0.3 HG2 A:ARG169 4.2 63.6 0.3 CA A:LYS103 4.3 23.9 0.2 CA A:LYS103 4.3 23.9 0.2 HH22 A:ARG169 4.3 43.1 0.3 HH22 A:ARG169 4.3 43.1 0.3 CA A:LYS103 4.3 23.8 0.3 CA A:LYS103 4.3 23.8 0.3 CD A:LYS103 4.4 26.9 0.3 CD A:LYS103 4.4 26.9 0.3 C10 A:JOV401 4.4 43.3 0.2 C10 A:JOV401 4.4 43.3 0.2 CG A:ARG169 4.5 53.0 0.3 CG A:ARG169 4.5 53.0 0.3 CE A:LYS103 4.6 44.5 0.2 CE A:LYS103 4.6 44.5 0.2 O A:LYS103 4.6 23.8 0.3 O A:LYS103 4.6 23.8 0.3 HG2 A:ARG169 4.6 30.6 0.2 HG2 A:ARG169 4.6 30.6 0.2 HD2 A:ARG169 4.7 48.5 0.2 HD2 A:ARG169 4.7 48.5 0.2 CE A:LYS103 4.7 48.3 0.3 CE A:LYS103 4.7 48.3 0.3 O A:LYS103 4.7 28.4 0.2 O A:LYS103 4.7 28.4 0.2 H111 A:JOV401 4.7 36.3 0.2 H111 A:JOV401 4.7 36.3 0.2 H061 A:JOV401 4.7 53.0 0.2 H061 A:JOV401 4.7 53.0 0.2 HB2 A:LYS103 4.7 33.1 0.3 HB2 A:LYS103 4.7 33.1 0.3 C A:LYS103 4.8 23.3 0.2 C A:LYS103 4.8 23.3 0.2 HZ1 A:LYS103 4.8 66.6 0.2 HZ1 A:LYS103 4.8 66.6 0.2 C A:LYS103 4.8 23.0 0.3 C A:LYS103 4.8 23.0 0.3 HD2 A:LYS103 4.8 50.6 0.2 HD2 A:LYS103 4.8 50.6 0.2 HB2 A:LYS103 4.9 37.5 0.2 HB2 A:LYS103 4.9 37.5 0.2 O A:HOH639 4.9 26.1 1.0 CG A:ARG169 4.9 25.5 0.2 CG A:ARG169 4.9 25.5 0.2 HG3 A:ARG169 4.9 63.6 0.3 HG3 A:ARG169 4.9 63.6 0.3 HG3 A:LYS103 4.9 34.0 0.3 HG3 A:LYS103 4.9 34.0 0.3 C07 A:JOV401 5.0 44.1 0.2 C07 A:JOV401 5.0 44.1 0.2

Chlorine binding site 3 out of 6 in 5qfn

Chlorine Binding Sites List in 5qfn

Chlorine binding site 3 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:58.1 occ:0.18 CL15 A:JOV402 0.0 58.1 0.2 CL15 A:JOV402 0.0 58.1 0.2 C13 A:JOV402 1.6 41.9 0.2 C13 A:JOV402 1.6 41.9 0.2 C14 A:JOV402 2.5 39.5 0.2 C14 A:JOV402 2.5 39.5 0.2 C12 A:JOV402 2.6 51.0 0.2 C12 A:JOV402 2.6 51.0 0.2 H141 A:JOV402 2.6 47.4 0.2 H141 A:JOV402 2.6 47.4 0.2 O A:HOH687 2.7 69.6 1.0 H121 A:JOV402 2.8 61.2 0.2 H121 A:JOV402 2.8 61.2 0.2 HB2 A:ASN139 3.0 50.5 0.2 HB2 A:ASN139 3.0 50.5 0.2 HB2 A:ASN139 3.1 44.0 0.3 HB2 A:ASN139 3.1 44.0 0.3 O A:ASP137 3.6 40.1 1.0 C09 A:JOV402 3.7 43.4 0.2 C09 A:JOV402 3.7 43.4 0.2 HA A:THR138 3.8 39.2 1.0 HB3 A:ASN139 3.8 50.5 0.2 HB3 A:ASN139 3.8 50.5 0.2 CB A:ASN139 3.8 42.1 0.2 CB A:ASN139 3.8 42.1 0.2 C11 A:JOV402 3.9 35.8 0.2 C11 A:JOV402 3.9 35.8 0.2 CB A:ASN139 4.0 36.7 0.3 CB A:ASN139 4.0 36.7 0.3 C A:THR138 4.2 38.3 1.0 HB3 A:ASN139 4.3 44.0 0.3 HB3 A:ASN139 4.3 44.0 0.3 C10 A:JOV402 4.3 22.6 0.2 C10 A:JOV402 4.3 22.6 0.2 C A:ASP137 4.3 35.9 1.0 CA A:THR138 4.4 32.6 1.0 N A:ASN139 4.4 32.9 0.2 N A:ASN139 4.4 32.9 0.2 N A:ASN139 4.4 33.2 0.3 N A:ASN139 4.4 33.2 0.3 O A:GLU136 4.5 36.0 0.3 O A:GLU136 4.5 36.0 0.3 H A:ASN139 4.6 39.9 0.3 H A:ASN139 4.6 39.9 0.3 H A:ASN139 4.6 39.5 0.2 H A:ASN139 4.6 39.5 0.2 O A:GLU136 4.6 39.2 0.2 O A:GLU136 4.6 39.2 0.2 O A:THR138 4.6 34.0 1.0 H061 A:JOV402 4.7 63.8 0.2 H061 A:JOV402 4.7 63.8 0.2 N A:THR138 4.7 33.2 1.0 H111 A:JOV402 4.7 43.0 0.2 H111 A:JOV402 4.7 43.0 0.2 CA A:ASN139 4.8 36.3 0.2 CA A:ASN139 4.8 36.3 0.2 CG A:ASN139 4.8 49.1 0.2 CG A:ASN139 4.8 49.1 0.2 CG A:ASN139 4.8 49.0 0.3 CG A:ASN139 4.8 49.0 0.3 CA A:ASN139 4.8 32.5 0.3 CA A:ASN139 4.8 32.5 0.3 C07 A:JOV402 4.9 44.0 0.2 C07 A:JOV402 4.9 44.0 0.2

Chlorine binding site 4 out of 6 in 5qfn

Chlorine Binding Sites List in 5qfn

Chlorine binding site 4 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:58.1 occ:0.18 CL15 A:JOV402 0.0 58.1 0.2 CL15 A:JOV402 0.0 58.1 0.2 C13 A:JOV402 1.6 41.9 0.2 C13 A:JOV402 1.6 41.9 0.2 C14 A:JOV402 2.5 39.5 0.2 C14 A:JOV402 2.5 39.5 0.2 C12 A:JOV402 2.6 51.0 0.2 C12 A:JOV402 2.6 51.0 0.2 H141 A:JOV402 2.6 47.4 0.2 H141 A:JOV402 2.6 47.4 0.2 O A:HOH687 2.7 69.6 1.0 H121 A:JOV402 2.8 61.2 0.2 H121 A:JOV402 2.8 61.2 0.2 HB2 A:ASN139 3.0 50.5 0.2 HB2 A:ASN139 3.0 50.5 0.2 HB2 A:ASN139 3.1 44.0 0.3 HB2 A:ASN139 3.1 44.0 0.3 O A:ASP137 3.6 40.1 1.0 C09 A:JOV402 3.7 43.4 0.2 C09 A:JOV402 3.7 43.4 0.2 HA A:THR138 3.8 39.2 1.0 HB3 A:ASN139 3.8 50.5 0.2 HB3 A:ASN139 3.8 50.5 0.2 CB A:ASN139 3.8 42.1 0.2 CB A:ASN139 3.8 42.1 0.2 C11 A:JOV402 3.9 35.8 0.2 C11 A:JOV402 3.9 35.8 0.2 CB A:ASN139 4.0 36.7 0.3 CB A:ASN139 4.0 36.7 0.3 C A:THR138 4.2 38.3 1.0 HB3 A:ASN139 4.3 44.0 0.3 HB3 A:ASN139 4.3 44.0 0.3 C10 A:JOV402 4.3 22.6 0.2 C10 A:JOV402 4.3 22.6 0.2 C A:ASP137 4.3 35.9 1.0 CA A:THR138 4.4 32.6 1.0 N A:ASN139 4.4 32.9 0.2 N A:ASN139 4.4 32.9 0.2 N A:ASN139 4.4 33.2 0.3 N A:ASN139 4.4 33.2 0.3 O A:GLU136 4.5 36.0 0.3 O A:GLU136 4.5 36.0 0.3 H A:ASN139 4.6 39.9 0.3 H A:ASN139 4.6 39.9 0.3 H A:ASN139 4.6 39.5 0.2 H A:ASN139 4.6 39.5 0.2 O A:GLU136 4.6 39.2 0.2 O A:GLU136 4.6 39.2 0.2 O A:THR138 4.6 34.0 1.0 H061 A:JOV402 4.7 63.8 0.2 H061 A:JOV402 4.7 63.8 0.2 N A:THR138 4.7 33.2 1.0 H111 A:JOV402 4.7 43.0 0.2 H111 A:JOV402 4.7 43.0 0.2 CA A:ASN139 4.8 36.3 0.2 CA A:ASN139 4.8 36.3 0.2 CG A:ASN139 4.8 49.1 0.2 CG A:ASN139 4.8 49.1 0.2 CG A:ASN139 4.8 49.0 0.3 CG A:ASN139 4.8 49.0 0.3 CA A:ASN139 4.8 32.5 0.3 CA A:ASN139 4.8 32.5 0.3 C07 A:JOV402 4.9 44.0 0.2 C07 A:JOV402 4.9 44.0 0.2

Chlorine binding site 5 out of 6 in 5qfn

Chlorine Binding Sites List in 5qfn

Chlorine binding site 5 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:49.0 occ:0.18 CL15 A:JOV403 0.0 49.0 0.2 CL15 A:JOV403 0.0 49.0 0.2 HZ A:PHE196 1.4 28.9 0.3 HE2 A:PHE196 1.8 32.0 0.3 C13 A:JOV403 1.8 46.7 0.2 C13 A:JOV403 1.8 46.7 0.2 CZ A:PHE196 1.9 24.1 0.3 HE2 A:PHE196 2.0 38.4 0.3 CE2 A:PHE196 2.1 26.7 0.3 CE2 A:PHE196 2.7 32.0 0.3 C14 A:JOV403 2.8 43.6 0.2 C14 A:JOV403 2.8 43.6 0.2 C12 A:JOV403 2.8 36.4 0.2 C12 A:JOV403 2.8 36.4 0.2 HA2 A:GLY277 2.8 38.1 0.3 HA2 A:GLY277 2.8 38.1 0.3 HB3 A:PHE280 2.9 71.9 0.3 HB3 A:PHE280 2.9 71.9 0.3 H141 A:JOV403 2.9 52.3 0.2 H141 A:JOV403 2.9 52.3 0.2 H121 A:JOV403 2.9 43.6 0.2 H121 A:JOV403 2.9 43.6 0.2 HA2 A:GLY277 2.9 42.0 0.2 HA2 A:GLY277 2.9 42.0 0.2 HB3 A:LEU192 3.0 34.3 0.2 HB3 A:LEU192 3.0 34.3 0.2 HB3 A:LEU192 3.1 30.7 0.3 HB3 A:LEU192 3.1 30.7 0.3 HD13 A:LEU192 3.2 49.9 0.2 HD13 A:LEU192 3.2 49.9 0.2 CE1 A:PHE196 3.3 28.0 0.3 HD21 A:LEU192 3.3 48.2 0.2 HD21 A:LEU192 3.3 48.2 0.2 HD21 A:LEU192 3.3 37.1 0.3 HD21 A:LEU192 3.3 37.1 0.3 HD2 A:PHE280 3.3 73.0 0.3 HD2 A:PHE280 3.3 73.0 0.3 HB3 A:PHE280 3.3 72.2 0.2 HB3 A:PHE280 3.3 72.2 0.2 HD13 A:LEU192 3.4 36.5 0.3 HD13 A:LEU192 3.4 36.5 0.3 HE2 A:PHE196 3.5 33.8 0.2 HE2 A:PHE196 3.5 33.8 0.2 CD2 A:PHE196 3.5 24.1 0.3 HD2 A:PHE196 3.5 25.5 0.3 CD2 A:PHE196 3.5 21.2 0.3 CZ A:PHE196 3.5 41.1 0.3 HZ A:PHE196 3.6 49.3 0.3 CA A:GLY277 3.6 31.7 0.3 CA A:GLY277 3.6 31.7 0.3 HD2 A:PHE280 3.6 70.5 0.2 HD2 A:PHE280 3.6 70.5 0.2 HA3 A:GLY277 3.6 38.1 0.3 HA3 A:GLY277 3.6 38.1 0.3 CB A:PHE280 3.6 59.9 0.3 CB A:PHE280 3.6 59.9 0.3 CE2 A:PHE196 3.7 28.2 0.2 CE2 A:PHE196 3.7 28.2 0.2 HB2 A:PHE280 3.7 72.2 0.2 HB2 A:PHE280 3.7 72.2 0.2 HA3 A:GLY277 3.7 42.0 0.2 HA3 A:GLY277 3.7 42.0 0.2 HE1 A:PHE196 3.7 33.6 0.3 CA A:GLY277 3.7 35.0 0.2 CA A:GLY277 3.7 35.0 0.2 HB2 A:PHE280 3.7 71.9 0.3 HB2 A:PHE280 3.7 71.9 0.3 O A:GLY277 3.8 33.1 0.3 O A:GLY277 3.8 33.1 0.3 CD2 A:PHE280 3.9 60.8 0.3 CD2 A:PHE280 3.9 60.8 0.3 CB A:LEU192 3.9 28.6 0.2 CB A:LEU192 3.9 28.6 0.2 CB A:PHE280 3.9 60.1 0.2 CB A:PHE280 3.9 60.1 0.2 HD2 A:PHE196 4.0 28.9 0.3 C11 A:JOV403 4.0 35.9 0.2 C11 A:JOV403 4.0 35.9 0.2 C09 A:JOV403 4.0 55.0 0.2 C09 A:JOV403 4.0 55.0 0.2 HB2 A:LEU192 4.0 34.3 0.2 HB2 A:LEU192 4.0 34.3 0.2 CB A:LEU192 4.0 25.6 0.3 CB A:LEU192 4.0 25.6 0.3 O A:GLY277 4.1 50.6 0.2 O A:GLY277 4.1 50.6 0.2 CD2 A:PHE280 4.1 58.8 0.2 CD2 A:PHE280 4.1 58.8 0.2 CG A:PHE280 4.1 51.8 0.3 CG A:PHE280 4.1 51.8 0.3 HG13 A:ILE281 4.1 55.6 0.2 HG13 A:ILE281 4.1 55.6 0.2 CD1 A:LEU192 4.1 41.6 0.2 CD1 A:LEU192 4.1 41.6 0.2 CD2 A:LEU192 4.1 40.1 0.2 CD2 A:LEU192 4.1 40.1 0.2 CD2 A:PHE196 4.1 23.8 0.2 CD2 A:PHE196 4.1 23.8 0.2 CZ A:PHE196 4.1 30.9 0.2 CZ A:PHE196 4.1 30.9 0.2 CD2 A:LEU192 4.2 30.9 0.3 CD2 A:LEU192 4.2 30.9 0.3 C A:GLY277 4.2 31.8 0.3 C A:GLY277 4.2 31.8 0.3 CD1 A:LEU192 4.2 30.4 0.3 CD1 A:LEU192 4.2 30.4 0.3 HZ A:PHE196 4.3 37.1 0.2 HZ A:PHE196 4.3 37.1 0.2 CG A:LEU192 4.3 31.6 0.2 CG A:LEU192 4.3 31.6 0.2 HD2 A:PHE196 4.3 28.5 0.2 HD2 A:PHE196 4.3 28.5 0.2 CD1 A:PHE196 4.3 30.3 0.3 CG A:PHE280 4.3 58.3 0.2 CG A:PHE280 4.3 58.3 0.2 HD12 A:ILE281 4.3 49.7 0.2 HD12 A:ILE281 4.3 49.7 0.2 CG A:LEU192 4.4 31.6 0.3 CG A:LEU192 4.4 31.6 0.3 HB2 A:LEU192 4.4 30.7 0.3 HB2 A:LEU192 4.4 30.7 0.3 CG A:PHE196 4.4 24.8 0.3 C A:GLY277 4.4 36.4 0.2 C A:GLY277 4.4 36.4 0.2 C10 A:JOV403 4.5 48.0 0.2 C10 A:JOV403 4.5 48.0 0.2 HG12 A:ILE281 4.6 55.6 0.2 HG12 A:ILE281 4.6 55.6 0.2 HD11 A:LEU192 4.6 49.9 0.2 HD11 A:LEU192 4.6 49.9 0.2 HD23 A:LEU192 4.6 48.2 0.2 HD23 A:LEU192 4.6 48.2 0.2 HD23 A:LEU192 4.6 37.1 0.3 HD23 A:LEU192 4.6 37.1 0.3 H061 A:JOV403 4.7 48.3 0.2 H061 A:JOV403 4.7 48.3 0.2 HD12 A:LEU192 4.7 49.9 0.2 HD12 A:LEU192 4.7 49.9 0.2 CG A:PHE196 4.7 22.7 0.3 N A:GLY277 4.7 32.4 0.3 N A:GLY277 4.7 32.4 0.3 CG1 A:ILE281 4.7 46.3 0.2 CG1 A:ILE281 4.7 46.3 0.2 CE1 A:PHE196 4.7 34.4 0.3 HD22 A:LEU192 4.7 37.1 0.3 HD22 A:LEU192 4.7 37.1 0.3 HD22 A:LEU192 4.7 48.2 0.2 HD22 A:LEU192 4.7 48.2 0.2 HD13 A:LEU232 4.7 30.5 0.3 HD13 A:LEU232 4.7 30.5 0.3 H A:PHE280 4.8 64.2 0.3 H A:PHE280 4.8 64.2 0.3 HD11 A:LEU192 4.8 36.5 0.3 HD11 A:LEU192 4.8 36.5 0.3 HD12 A:LEU192 4.8 36.5 0.3 HD12 A:LEU192 4.8 36.5 0.3 N A:GLY277 4.8 28.4 0.2 N A:GLY277 4.8 28.4 0.2 H A:ILE281 4.8 62.2 0.3 H A:ILE281 4.8 62.2 0.3 CE2 A:PHE280 4.9 63.1 0.3 CE2 A:PHE280 4.9 63.1 0.3 H111 A:JOV403 4.9 43.0 0.2 H111 A:JOV403 4.9 43.0 0.2 CA A:PHE280 4.9 56.7 0.3 CA A:PHE280 4.9 56.7 0.3 CG A:PHE196 4.9 29.1 0.2 CG A:PHE196 4.9 29.1 0.2 O A:GLU276 4.9 32.4 0.3 CE1 A:PHE196 4.9 45.3 0.2 CE1 A:PHE196 4.9 45.3 0.2 CE2 A:PHE280 5.0 59.7 0.2 CE2 A:PHE280 5.0 59.7 0.2 O A:GLU276 5.0 34.8 0.3 CD1 A:ILE281 5.0 41.4 0.2 CD1 A:ILE281 5.0 41.4 0.2 CA A:LEU192 5.0 26.9 0.2 CA A:LEU192 5.0 26.9 0.2

Chlorine binding site 6 out of 6 in 5qfn

Chlorine Binding Sites List in 5qfn

Chlorine binding site 6 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Pandda Analysis Group Deposition -- Crystal Structure of PTP1B in Complex with COMPOUND_FMOPL000324A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:49.0 occ:0.18 CL15 A:JOV403 0.0 49.0 0.2 CL15 A:JOV403 0.0 49.0 0.2 HZ A:PHE196 1.4 28.9 0.3 HE2 A:PHE196 1.8 32.0 0.3 C13 A:JOV403 1.8 46.7 0.2 C13 A:JOV403 1.8 46.7 0.2 CZ A:PHE196 1.9 24.1 0.3 HE2 A:PHE196 2.0 38.4 0.3 CE2 A:PHE196 2.1 26.7 0.3 CE2 A:PHE196 2.7 32.0 0.3 C14 A:JOV403 2.8 43.6 0.2 C14 A:JOV403 2.8 43.6 0.2 C12 A:JOV403 2.8 36.4 0.2 C12 A:JOV403 2.8 36.4 0.2 HA2 A:GLY277 2.8 38.1 0.3 HA2 A:GLY277 2.8 38.1 0.3 HB3 A:PHE280 2.9 71.9 0.3 HB3 A:PHE280 2.9 71.9 0.3 H141 A:JOV403 2.9 52.3 0.2 H141 A:JOV403 2.9 52.3 0.2 H121 A:JOV403 2.9 43.6 0.2 H121 A:JOV403 2.9 43.6 0.2 HA2 A:GLY277 2.9 42.0 0.2 HA2 A:GLY277 2.9 42.0 0.2 HB3 A:LEU192 3.0 34.3 0.2 HB3 A:LEU192 3.0 34.3 0.2 HB3 A:LEU192 3.1 30.7 0.3 HB3 A:LEU192 3.1 30.7 0.3 HD13 A:LEU192 3.2 49.9 0.2 HD13 A:LEU192 3.2 49.9 0.2 CE1 A:PHE196 3.3 28.0 0.3 HD21 A:LEU192 3.3 48.2 0.2 HD21 A:LEU192 3.3 48.2 0.2 HD21 A:LEU192 3.3 37.1 0.3 HD21 A:LEU192 3.3 37.1 0.3 HD2 A:PHE280 3.3 73.0 0.3 HD2 A:PHE280 3.3 73.0 0.3 HB3 A:PHE280 3.3 72.2 0.2 HB3 A:PHE280 3.3 72.2 0.2 HD13 A:LEU192 3.4 36.5 0.3 HD13 A:LEU192 3.4 36.5 0.3 HE2 A:PHE196 3.5 33.8 0.2 HE2 A:PHE196 3.5 33.8 0.2 CD2 A:PHE196 3.5 24.1 0.3 HD2 A:PHE196 3.5 25.5 0.3 CD2 A:PHE196 3.5 21.2 0.3 CZ A:PHE196 3.5 41.1 0.3 HZ A:PHE196 3.6 49.3 0.3 CA A:GLY277 3.6 31.7 0.3 CA A:GLY277 3.6 31.7 0.3 HD2 A:PHE280 3.6 70.5 0.2 HD2 A:PHE280 3.6 70.5 0.2 HA3 A:GLY277 3.6 38.1 0.3 HA3 A:GLY277 3.6 38.1 0.3 CB A:PHE280 3.6 59.9 0.3 CB A:PHE280 3.6 59.9 0.3 CE2 A:PHE196 3.7 28.2 0.2 CE2 A:PHE196 3.7 28.2 0.2 HB2 A:PHE280 3.7 72.2 0.2 HB2 A:PHE280 3.7 72.2 0.2 HA3 A:GLY277 3.7 42.0 0.2 HA3 A:GLY277 3.7 42.0 0.2 HE1 A:PHE196 3.7 33.6 0.3 CA A:GLY277 3.7 35.0 0.2 CA A:GLY277 3.7 35.0 0.2 HB2 A:PHE280 3.7 71.9 0.3 HB2 A:PHE280 3.7 71.9 0.3 O A:GLY277 3.8 33.1 0.3 O A:GLY277 3.8 33.1 0.3 CD2 A:PHE280 3.9 60.8 0.3 CD2 A:PHE280 3.9 60.8 0.3 CB A:LEU192 3.9 28.6 0.2 CB A:LEU192 3.9 28.6 0.2 CB A:PHE280 3.9 60.1 0.2 CB A:PHE280 3.9 60.1 0.2 HD2 A:PHE196 4.0 28.9 0.3 C11 A:JOV403 4.0 35.9 0.2 C11 A:JOV403 4.0 35.9 0.2 C09 A:JOV403 4.0 55.0 0.2 C09 A:JOV403 4.0 55.0 0.2 HB2 A:LEU192 4.0 34.3 0.2 HB2 A:LEU192 4.0 34.3 0.2 CB A:LEU192 4.0 25.6 0.3 CB A:LEU192 4.0 25.6 0.3 O A:GLY277 4.1 50.6 0.2 O A:GLY277 4.1 50.6 0.2 CD2 A:PHE280 4.1 58.8 0.2 CD2 A:PHE280 4.1 58.8 0.2 CG A:PHE280 4.1 51.8 0.3 CG A:PHE280 4.1 51.8 0.3 HG13 A:ILE281 4.1 55.6 0.2 HG13 A:ILE281 4.1 55.6 0.2 CD1 A:LEU192 4.1 41.6 0.2 CD1 A:LEU192 4.1 41.6 0.2 CD2 A:LEU192 4.1 40.1 0.2 CD2 A:LEU192 4.1 40.1 0.2 CD2 A:PHE196 4.1 23.8 0.2 CD2 A:PHE196 4.1 23.8 0.2 CZ A:PHE196 4.1 30.9 0.2 CZ A:PHE196 4.1 30.9 0.2 CD2 A:LEU192 4.2 30.9 0.3 CD2 A:LEU192 4.2 30.9 0.3 C A:GLY277 4.2 31.8 0.3 C A:GLY277 4.2 31.8 0.3 CD1 A:LEU192 4.2 30.4 0.3 CD1 A:LEU192 4.2 30.4 0.3 HZ A:PHE196 4.3 37.1 0.2 HZ A:PHE196 4.3 37.1 0.2 CG A:LEU192 4.3 31.6 0.2 CG A:LEU192 4.3 31.6 0.2 HD2 A:PHE196 4.3 28.5 0.2 HD2 A:PHE196 4.3 28.5 0.2 CD1 A:PHE196 4.3 30.3 0.3 CG A:PHE280 4.3 58.3 0.2 CG A:PHE280 4.3 58.3 0.2 HD12 A:ILE281 4.3 49.7 0.2 HD12 A:ILE281 4.3 49.7 0.2 CG A:LEU192 4.4 31.6 0.3 CG A:LEU192 4.4 31.6 0.3 HB2 A:LEU192 4.4 30.7 0.3 HB2 A:LEU192 4.4 30.7 0.3 CG A:PHE196 4.4 24.8 0.3 C A:GLY277 4.4 36.4 0.2 C A:GLY277 4.4 36.4 0.2 C10 A:JOV403 4.5 48.0 0.2 C10 A:JOV403 4.5 48.0 0.2 HG12 A:ILE281 4.6 55.6 0.2 HG12 A:ILE281 4.6 55.6 0.2 HD11 A:LEU192 4.6 49.9 0.2 HD11 A:LEU192 4.6 49.9 0.2 HD23 A:LEU192 4.6 48.2 0.2 HD23 A:LEU192 4.6 48.2 0.2 HD23 A:LEU192 4.6 37.1 0.3 HD23 A:LEU192 4.6 37.1 0.3 H061 A:JOV403 4.7 48.3 0.2 H061 A:JOV403 4.7 48.3 0.2 HD12 A:LEU192 4.7 49.9 0.2 HD12 A:LEU192 4.7 49.9 0.2 CG A:PHE196 4.7 22.7 0.3 N A:GLY277 4.7 32.4 0.3 N A:GLY277 4.7 32.4 0.3 CG1 A:ILE281 4.7 46.3 0.2 CG1 A:ILE281 4.7 46.3 0.2 CE1 A:PHE196 4.7 34.4 0.3 HD22 A:LEU192 4.7 37.1 0.3 HD22 A:LEU192 4.7 37.1 0.3 HD22 A:LEU192 4.7 48.2 0.2 HD22 A:LEU192 4.7 48.2 0.2 HD13 A:LEU232 4.7 30.5 0.3 HD13 A:LEU232 4.7 30.5 0.3 H A:PHE280 4.8 64.2 0.3 H A:PHE280 4.8 64.2 0.3 HD11 A:LEU192 4.8 36.5 0.3 HD11 A:LEU192 4.8 36.5 0.3 HD12 A:LEU192 4.8 36.5 0.3 HD12 A:LEU192 4.8 36.5 0.3 N A:GLY277 4.8 28.4 0.2 N A:GLY277 4.8 28.4 0.2 H A:ILE281 4.8 62.2 0.3 H A:ILE281 4.8 62.2 0.3 CE2 A:PHE280 4.9 63.1 0.3 CE2 A:PHE280 4.9 63.1 0.3 H111 A:JOV403 4.9 43.0 0.2 H111 A:JOV403 4.9 43.0 0.2 CA A:PHE280 4.9 56.7 0.3 CA A:PHE280 4.9 56.7 0.3 CG A:PHE196 4.9 29.1 0.2 CG A:PHE196 4.9 29.1 0.2 O A:GLU276 4.9 32.4 0.3 CE1 A:PHE196 4.9 45.3 0.2 CE1 A:PHE196 4.9 45.3 0.2 CE2 A:PHE280 5.0 59.7 0.2 CE2 A:PHE280 5.0 59.7 0.2 O A:GLU276 5.0 34.8 0.3 CD1 A:ILE281 5.0 41.4 0.2 CD1 A:ILE281 5.0 41.4 0.2 CA A:LEU192 5.0 26.9 0.2 CA A:LEU192 5.0 26.9 0.2

Reference: