Chlorine in PDB 6hrr: Structure of the TRPML2 Eld at pH 6.5

The structure of Structure of the TRPML2 Eld at pH 6.5, PDB code: 6hrr was solved by N.Bader, K.K.Viet, A.Wagner, U.A.Hellmich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	109.471, 109.471, 149.744, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 21.7

The structure of Structure of the TRPML2 Eld at pH 6.5 also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Structure of the TRPML2 Eld at pH 6.5 (pdb code 6hrr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of the TRPML2 Eld at pH 6.5, PDB code: 6hrr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of the TRPML2 Eld at pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the TRPML2 Eld at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:57.6 occ:1.00 H A:GLU214 2.4 54.2 0.0 HZ2 A:LYS165 2.5 55.7 0.0 HA A:LEU213 2.9 49.5 0.0 HD13 A:LEU218 2.9 50.3 0.0 HD1 A:HIS167 2.9 72.8 0.0 HD2 A:LYS165 3.0 49.2 0.0 N A:GLU214 3.4 53.9 1.0 NZ A:LYS165 3.4 54.6 1.0 ND1 A:HIS167 3.4 72.6 0.4 HD22 A:LEU213 3.5 47.9 0.0 HB2 A:GLU214 3.5 58.2 0.0 HB3 A:HIS167 3.5 62.1 0.0 HB3 A:HIS167 3.6 63.4 0.0 HB2 A:LEU218 3.6 51.4 0.0 HE3 A:LYS165 3.7 54.9 0.0 HZ3 A:LYS165 3.7 54.1 0.0 HD23 A:LEU213 3.8 48.7 0.0 CA A:LEU213 3.8 49.0 1.0 CE A:LYS165 3.9 53.4 1.0 CD A:LYS165 3.9 49.5 1.0 CD1 A:LEU218 3.9 50.2 1.0 HB3 A:LEU213 4.0 47.1 0.0 HD12 A:LEU218 4.0 51.1 0.0 CG A:HIS167 4.1 69.8 0.4 C A:LEU213 4.1 55.7 1.0 CD2 A:LEU213 4.1 48.0 1.0 HZ1 A:LYS165 4.1 56.2 0.0 CE1 A:HIS167 4.2 73.2 0.4 CB A:HIS167 4.2 64.4 0.4 O A:GLU214 4.2 55.1 1.0 CB A:HIS167 4.3 63.1 0.6 HB2 A:HIS167 4.3 65.8 0.0 CG A:HIS167 4.3 67.3 0.6 CA A:GLU214 4.3 54.3 1.0 CB A:GLU214 4.3 58.1 1.0 HB2 A:HIS167 4.4 64.7 0.0 HG3 A:GLU214 4.4 73.8 0.0 O2 A:GOL307 4.4 93.1 0.5 O A:ARG212 4.4 58.0 1.0 CB A:LEU213 4.4 46.9 1.0 HD22 A:LEU218 4.4 55.9 0.0 HE1 A:HIS167 4.4 74.1 0.0 HA A:LEU218 4.4 52.8 0.0 CD2 A:HIS167 4.4 68.2 0.6 CB A:LEU218 4.5 51.1 1.0 HD3 A:LYS165 4.5 48.0 0.0 HD11 A:LEU218 4.6 49.0 0.0 HD2 A:HIS167 4.6 67.5 0.0 C A:GLU214 4.6 55.6 1.0 HG3 A:LYS165 4.6 52.4 0.0 CG A:LEU218 4.7 51.9 1.0 O3 A:GOL307 4.8 94.9 0.5 HB2 A:LYS165 4.8 48.3 0.0 HG3 A:ARG217 4.8 65.9 0.0 CG A:LYS165 4.9 50.8 1.0 ND1 A:HIS167 4.9 71.2 0.6 CG A:GLU214 4.9 74.7 1.0 N A:LEU213 4.9 49.3 1.0 CG A:LEU213 4.9 48.9 1.0 C2 A:GOL307 4.9 93.6 0.5 HE2 A:LYS165 5.0 53.6 0.0 HD21 A:LEU213 5.0 46.9 0.0 CD2 A:HIS167 5.0 73.1 0.4 CA A:LEU218 5.0 52.5 1.0

Chlorine binding site 2 out of 3 in the Structure of the TRPML2 Eld at pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the TRPML2 Eld at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:1.0 occ:1.00 HB2 A:GLN124 3.5 43.2 0.0 HD2 A:TYR128 3.6 42.1 0.0 HA A:GLU125 3.6 43.2 0.0 OE1 A:GLU125 3.8 81.7 1.0 HB3 A:GLN124 3.8 42.6 0.0 HB2 A:GLU125 3.8 46.2 0.0 HE2 A:TYR128 3.9 44.0 0.0 N A:GLU125 4.0 43.2 1.0 H A:GLU125 4.1 44.2 0.0 CB A:GLN124 4.1 42.4 1.0 CA A:GLU125 4.2 43.0 1.0 C A:GLN124 4.4 43.9 1.0 OE1 A:GLN124 4.4 47.2 1.0 CD2 A:TYR128 4.4 42.1 1.0 O2 A:GOL305 4.5 98.2 1.0 CB A:GLU125 4.5 45.3 1.0 CE2 A:TYR128 4.6 43.2 1.0 O A:GLN124 4.8 41.3 1.0 CD A:GLU125 4.8 86.5 1.0 CA A:GLN124 4.9 41.0 1.0

Chlorine binding site 3 out of 3 in the Structure of the TRPML2 Eld at pH 6.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the TRPML2 Eld at pH 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:60.8 occ:1.00 HZ2 B:LYS165 2.2 53.9 0.0 H B:GLU214 2.3 53.9 0.0 HA B:LEU213 2.9 52.8 0.0 HD2 B:LYS165 3.0 47.0 0.0 HD13 B:LEU218 3.1 55.7 0.0 NZ B:LYS165 3.2 54.5 1.0 ND1 B:HIS167 3.2 66.2 1.0 N B:GLU214 3.3 54.1 1.0 HB2 B:GLU214 3.3 57.9 0.0 HE3 B:LYS165 3.5 55.2 0.0 HZ3 B:LYS165 3.6 53.3 0.0 HB3 B:HIS167 3.6 57.0 0.0 HB2 B:LEU218 3.7 51.7 0.0 HD22 B:LEU213 3.7 50.4 0.0 CE B:LYS165 3.7 54.7 1.0 CD B:LYS165 3.8 47.5 1.0 HZ1 B:LYS165 3.9 55.2 0.0 HD23 B:LEU213 3.9 51.9 0.0 CA B:LEU213 3.9 52.5 1.0 HB2 B:HIS167 4.0 58.8 0.0 CG B:HIS167 4.0 63.2 1.0 CE1 B:HIS167 4.0 66.9 1.0 CD1 B:LEU218 4.1 54.9 1.0 C B:LEU213 4.1 58.5 1.0 HB3 B:LEU213 4.1 49.7 0.0 CB B:HIS167 4.1 57.8 1.0 O B:GLU214 4.1 57.6 1.0 CA B:GLU214 4.2 54.9 1.0 CB B:GLU214 4.2 58.1 1.0 HD12 B:LEU218 4.2 55.9 0.0 HE1 B:HIS167 4.2 67.8 0.0 CD2 B:LEU213 4.3 50.8 1.0 HG3 B:GLU214 4.3 70.8 0.0 O B:ARG212 4.4 65.7 1.0 C B:GLU214 4.4 57.7 1.0 HA B:LEU218 4.5 52.2 0.0 CB B:LEU213 4.5 49.9 1.0 HG3 B:ARG217 4.5 76.0 0.0 HD3 B:LYS165 4.5 46.9 0.0 HG3 B:LYS165 4.6 50.3 0.0 HD22 B:LEU218 4.6 56.9 0.0 CB B:LEU218 4.6 50.7 1.0 HD11 B:LEU218 4.7 54.4 0.0 HE2 B:LYS165 4.8 54.9 0.0 CG B:LYS165 4.8 49.8 1.0 CG B:GLU214 4.8 71.2 1.0 CG B:LEU218 4.9 54.4 1.0 HB2 B:LYS165 4.9 49.6 0.0 N B:LEU213 5.0 54.5 1.0

K.K.Viet, A.Wagner, K.Schwickert, N.Hellwig, M.Brennich, N.Bader, T.Schirmeister, N.Morgner, H.Schindelin, U.A.Hellmich. Structure of the Human TRPML2 Ion Channel Extracytosolic/Lumenal Domain. Structure V. 27 1246 2019.
ISSN: ISSN 0969-2126
PubMed: 31178222
DOI: 10.1016/J.STR.2019.04.016