Chlorine in PDB 7crk: 2PS Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif

The structure of 2PS Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif, PDB code: 7crk was solved by J.H.Yun, H.Liu, W.T.Lee, M.Schmidt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.64 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.37, 50.09, 69.39, 90, 109.69, 90
R / Rfree (%)	27.9 / 33

The binding sites of Chlorine atom in the 2PS Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif (pdb code 7crk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 2PS Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif, PDB code: 7crk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 2PS Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2PS Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:3.1 occ:0.89 O A:ARG95 3.3 3.3 1.0 CE A:LYS235 3.7 3.0 1.0 O A:HOH438 3.7 3.4 1.0 CB A:ASN98 3.7 3.4 1.0 ND2 A:ASN98 3.7 3.3 1.0 O A:ASN98 3.9 3.3 1.0 CG2 A:THR102 4.0 3.1 1.0 C A:ASN98 4.0 3.3 1.0 N A:TRP99 4.1 3.3 1.0 CG2 A:ILE64 4.1 3.3 1.0 C A:ARG95 4.1 3.5 1.0 CG A:ASN98 4.2 3.3 1.0 CD1 A:TRP99 4.2 3.2 1.0 CA A:ARG95 4.2 3.6 1.0 OG1 A:THR102 4.2 3.2 1.0 CA A:ALA61 4.4 3.1 1.0 NZ A:LYS235 4.4 3.0 1.0 CA A:ASN98 4.6 3.3 1.0 NH2 A:ARG95 4.6 3.8 1.0 NE1 A:TRP99 4.6 3.2 1.0 C15 A:RET303 4.7 3.0 1.0 CA A:TRP99 4.7 3.3 1.0 CB A:THR102 4.7 3.1 1.0 CD A:LYS235 4.7 3.0 1.0 N A:ALA61 4.8 3.1 1.0 CD A:ARG95 4.9 3.9 1.0 CB A:ALA61 4.9 3.1 1.0 O A:TYR94 5.0 3.6 1.0

Chlorine binding site 2 out of 2 in the 2PS Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2PS Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:5.0 occ:0.65 N A:LYS46 3.3 4.1 1.0 CG A:LYS46 3.5 4.4 1.0 N A:PRO45 3.7 4.1 1.0 CD A:PRO45 3.7 4.4 1.0 CB A:LYS46 3.7 4.3 1.0 CB A:ALA44 3.8 4.3 1.0 CB A:PRO45 3.9 4.2 1.0 CE A:LYS46 4.0 4.9 1.0 CG A:PRO45 4.1 4.0 1.0 CA A:PRO45 4.1 4.0 1.0 C A:PRO45 4.1 4.1 1.0 CA A:LYS46 4.1 4.2 1.0 C A:ALA44 4.2 4.2 1.0 CD A:LYS46 4.4 4.7 1.0 CA A:ALA44 4.5 4.5 1.0 O A:ALA44 4.9 4.1 1.0

J.H.Yun, X.Li, J.Yue, J.H.Park, Z.Jin, C.Li, H.Hu, Y.Shi, S.Pandey, S.Carbajo, S.Boutet, M.S.Hunter, M.Liang, R.G.Sierra, T.J.Lane, L.Zhou, U.Weierstall, N.A.Zatsepin, M.Ohki, J.R.H.Tame, S.Y.Park, J.C.H.Spence, W.Zhang, M.Schmidt, W.Lee, H.Liu. Early-Stage Dynamics of Chloride Ion-Pumping Rhodopsin Revealed By A Femtosecond X-Ray Laser. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 33753488
DOI: 10.1073/PNAS.2020486118