Chlorine in PDB 7crt: Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (0.17MJ/MM2)

The structure of Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (0.17MJ/MM2), PDB code: 7crt 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 (%)	35.7 / 40.6

The binding sites of Chlorine atom in the Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (0.17MJ/MM2) (pdb code 7crt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (0.17MJ/MM2), PDB code: 7crt:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (0.17MJ/MM2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (0.17MJ/MM2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:3.9 occ:1.00 CE A:LYS235 2.9 3.8 1.0 CG2 A:THR102 3.0 3.9 1.0 OG1 A:THR102 3.2 3.9 1.0 CA A:ALA61 3.3 3.8 1.0 N A:ALA61 3.3 4.0 1.0 CB A:ALA61 3.3 3.8 1.0 CB A:THR102 3.4 3.9 1.0 CD A:LYS235 3.9 3.8 1.0 NZ A:LYS235 4.0 3.8 1.0 CD1 A:TRP99 4.1 3.9 1.0 C A:SER60 4.1 3.9 1.0 O A:HOH402 4.3 4.0 0.6 C15 A:RET303 4.3 3.7 1.0 ND2 A:ASN98 4.3 4.3 1.0 CB A:ASN98 4.5 4.0 1.0 CB A:SER60 4.6 4.0 1.0 O A:SER60 4.6 3.9 1.0 NE1 A:TRP99 4.6 3.8 1.0 O A:ASN98 4.6 3.7 1.0 CG A:LYS235 4.7 3.8 1.0 C A:ASN98 4.7 4.5 1.0 C A:ALA61 4.8 3.7 1.0 CG A:ASN98 4.8 4.1 1.0 N A:TRP99 4.8 3.6 1.0 O A:VAL57 4.8 3.8 1.0 CA A:THR102 4.9 3.9 1.0 C14 A:RET303 5.0 3.8 1.0

Chlorine binding site 2 out of 2 in the Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (0.17MJ/MM2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (0.17MJ/MM2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:6.4 occ:0.76 CE A:LYS46 3.5 6.2 1.0 CG A:PRO45 3.7 5.7 1.0 CD A:PRO45 3.7 5.8 1.0 N A:PRO45 3.8 5.7 1.0 CB A:ALA44 3.9 6.0 1.0 N A:LYS46 4.0 5.7 1.0 C A:PRO45 4.1 5.8 1.0 CB A:LYS46 4.2 5.6 1.0 C A:ALA44 4.2 5.6 1.0 CG A:LYS46 4.3 5.8 1.0 CA A:PRO45 4.4 5.6 1.0 NZ A:LYS46 4.4 6.6 1.0 CA A:ALA44 4.4 5.9 1.0 CB A:PRO45 4.5 5.7 1.0 CD A:LYS46 4.5 5.8 1.0 O A:PRO45 4.7 6.0 1.0 CA A:LYS46 4.7 5.6 1.0 O A:ALA44 5.0 5.7 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