Chlorine in PDB 3i9s: Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6

The structure of Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6, PDB code: 3i9s was solved by C.N.Deshpande, V.Sureshan, S.J.Harrop, Y.Boucher, X.Xu, H.Cui, A.Edwards, A.Savchenko, A.Joachimiak, C.Chang, H.W.Stokes, P.M.G.Curmi, B.C.Mabbutt, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.31 / 2.20
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.239, 75.239, 310.424, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 23.3

The binding sites of Chlorine atom in the Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6 (pdb code 3i9s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6, PDB code: 3i9s:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl165 b:50.4 occ:1.00 OD1 A:ASN127 3.2 58.0 1.0 N A:GLU124 3.4 47.0 1.0 CA A:ALA123 3.7 37.7 1.0 CB A:ALA123 3.8 38.1 1.0 CB A:ALA130 4.0 42.7 1.0 C A:ALA123 4.1 44.4 1.0 CG A:ASN127 4.1 60.2 1.0 CG A:GLU124 4.1 65.1 1.0 CB A:ASN127 4.2 56.8 1.0 CB A:GLU124 4.3 60.7 1.0 CA A:GLU124 4.4 51.4 1.0 O A:GLU124 4.7 51.9 1.0 O A:THR122 5.0 48.3 1.0

Chlorine binding site 2 out of 4 in the Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl164 b:55.4 occ:1.00 N B:HIS11 3.2 28.6 1.0 CB B:HIS11 3.5 34.0 1.0 CB B:ASP9 3.6 52.9 1.0 NE2 D:HIS11 3.6 56.0 1.0 N B:LYS10 3.6 33.8 1.0 NZ D:LYS10 3.7 65.3 1.0 CA B:HIS11 4.0 27.9 1.0 CE1 D:HIS11 4.0 59.0 1.0 CB B:LYS10 4.0 39.5 1.0 CE D:LYS10 4.1 59.2 1.0 CA B:LYS10 4.1 36.5 1.0 C B:LYS10 4.2 38.3 1.0 C B:ASP9 4.2 33.5 1.0 O B:HOH307 4.4 47.0 1.0 CA B:ASP9 4.5 36.2 1.0 CG B:ASP9 4.6 79.3 1.0 CG B:HIS11 4.8 48.1 1.0 CD2 D:HIS11 4.9 57.2 1.0 O B:ASP9 4.9 29.7 1.0

Chlorine binding site 3 out of 4 in the Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl166 b:46.3 occ:1.00 OD1 C:ASN127 3.2 42.7 1.0 N C:GLU124 3.4 32.6 1.0 O C:HOH189 3.6 38.0 1.0 CA C:ALA123 3.8 25.6 1.0 CB C:ALA130 3.9 25.3 1.0 CB C:ASN127 3.9 39.2 1.0 CB C:ALA123 3.9 27.3 1.0 CG C:ASN127 4.0 46.6 1.0 C C:ALA123 4.1 34.3 1.0 CG C:GLU124 4.1 44.7 1.0 CB C:GLU124 4.2 32.9 1.0 CA C:GLU124 4.4 33.7 1.0 O C:GLU124 4.7 32.9 1.0 O C:HOH316 4.8 45.4 1.0 O C:ASN127 4.9 41.2 1.0 O C:THR122 5.0 31.1 1.0

Chlorine binding site 4 out of 4 in the Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl165 b:54.9 occ:1.00 O D:HOH242 3.3 47.8 1.0 OD1 D:ASN127 3.4 62.1 1.0 N D:GLU124 3.4 40.4 1.0 CA D:ALA123 3.8 34.0 1.0 CB D:ALA130 3.9 42.2 1.0 CB D:ALA123 4.1 34.5 1.0 C D:ALA123 4.1 38.8 1.0 CG D:GLU124 4.1 62.0 1.0 CG D:ASN127 4.2 62.8 1.0 CB D:GLU124 4.2 54.8 1.0 CB D:ASN127 4.2 55.8 1.0 CA D:GLU124 4.4 43.8 1.0 O D:HOH292 4.7 61.5 1.0 O D:GLU124 4.8 45.2 1.0 O D:THR122 4.9 36.6 1.0

C.N.Deshpande, V.Sureshan, S.J.Harrop, Y.Boucher, P.M.G Curmi, H.W.Stokes, A.Edwards, A.Savchenko, B.C.Mabbutt. Structure From the Mobile Metagenome of V.Cholerae. Integron Cassette Protein VCH_CASS6 To Be Published.