Chlorine in PDB 7crx: Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (2.63MJ/MM2)

Protein crystallography data

The structure of Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (2.63MJ/MM2), PDB code: 7crx 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 (%) 25.9 / 30.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (2.63MJ/MM2) (pdb code 7crx). 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 (2.63MJ/MM2), PDB code: 7crx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7crx

Go back to Chlorine Binding Sites List in 7crx
Chlorine binding site 1 out of 2 in the Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (2.63MJ/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 (2.63MJ/MM2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:5.8
occ:1.00
OG1 A:THR102 3.1 5.9 1.0
CG2 A:THR102 3.1 4.7 1.0
CA A:ALA61 3.3 5.0 1.0
CE A:LYS235 3.4 0.9 1.0
N A:ALA61 3.4 5.2 1.0
CB A:ALA61 3.5 4.1 1.0
CB A:ASN98 3.6 5.9 1.0
CB A:THR102 3.6 5.0 1.0
OG A:SER60 3.9 13.6 1.0
CD A:LYS235 4.0 1.5 1.0
C A:SER60 4.0 8.9 1.0
ND2 A:ASN98 4.0 8.4 1.0
C A:ASN98 4.3 4.8 1.0
CG A:ASN98 4.4 8.7 1.0
O A:SER60 4.4 7.0 1.0
CB A:SER60 4.4 7.4 1.0
N A:TRP99 4.4 5.4 1.0
CA A:ASN98 4.5 6.2 1.0
C15 A:RET303 4.6 3.0 1.0
O A:ASN98 4.6 6.5 1.0
O A:VAL57 4.6 4.1 1.0
NZ A:LYS235 4.7 1.2 1.0
CD1 A:TRP99 4.7 4.8 1.0
C A:ALA61 4.7 4.0 1.0
CA A:THR102 4.8 5.9 1.0
CA A:SER60 4.9 7.8 1.0
N A:THR102 4.9 3.1 1.0

Chlorine binding site 2 out of 2 in 7crx

Go back to Chlorine Binding Sites List in 7crx
Chlorine binding site 2 out of 2 in the Structure of Chloride Ion Pumping Rhodopsin (Clr) with Ntq Motif 100 Ps After Light Activation (2.63MJ/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 (2.63MJ/MM2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:24.0
occ:0.85
N A:LYS46 3.4 9.4 1.0
CD A:PRO45 3.5 10.4 1.0
CB A:PRO45 3.6 11.7 1.0
N A:PRO45 3.7 9.5 1.0
CE A:LYS46 3.8 33.6 1.0
CG A:PRO45 3.8 11.1 1.0
CB A:ALA44 3.9 6.1 1.0
CB A:LYS46 3.9 12.2 1.0
CG A:LYS46 3.9 12.5 1.0
CA A:PRO45 4.1 9.6 1.0
C A:PRO45 4.2 15.3 1.0
CA A:LYS46 4.2 11.0 1.0
C A:ALA44 4.3 9.8 1.0
CD A:LYS46 4.4 19.0 1.0
CA A:ALA44 4.6 5.5 1.0

Reference:

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
Page generated: Sat Apr 17 15:13:17 2021

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