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Chlorine in PDB 5hd8: Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1

Protein crystallography data

The structure of Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1, PDB code: 5hd8 was solved by I.I.Mathews, C.M.Khantwal, M.Maduke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.20 / 3.15
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 231.740, 96.060, 169.950, 90.00, 131.58, 90.00
R / Rfree (%) 20.5 / 25.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1 (pdb code 5hd8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1, PDB code: 5hd8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5hd8

Go back to Chlorine Binding Sites List in 5hd8
Chlorine binding site 1 out of 4 in the Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:0.6
occ:1.00
N A:ILE356 3.0 95.5 1.0
OH A:TYR445 3.0 95.3 1.0
CA A:GLY355 3.2 97.8 1.0
OG A:SER107 3.4 0.6 1.0
N A:PHE357 3.5 95.6 1.0
C A:GLY355 3.6 96.6 1.0
CB A:SER107 3.6 0.3 1.0
CD1 A:ILE109 3.7 88.6 1.0
CB A:PHE357 3.9 96.9 1.0
CZ A:TYR445 4.0 92.2 1.0
CA A:ILE356 4.1 96.9 1.0
CE1 A:TYR445 4.1 91.8 1.0
CG2 A:ILE356 4.2 95.9 1.0
C A:ILE356 4.2 96.5 1.0
N A:GLY149 4.3 89.8 1.0
CA A:SER107 4.3 0.0 1.0
CA A:PHE357 4.3 96.1 1.0
OE1 A:GLU148 4.4 0.8 1.0
CA A:GLY149 4.4 89.8 1.0
N A:GLY355 4.5 97.1 1.0
CG1 A:ILE109 4.6 87.6 1.0
CB A:ILE356 4.6 97.8 1.0
CB A:GLU148 4.7 97.2 1.0
O A:GLY355 4.8 97.7 1.0
CG A:PHE357 5.0 96.2 1.0

Chlorine binding site 2 out of 4 in 5hd8

Go back to Chlorine Binding Sites List in 5hd8
Chlorine binding site 2 out of 4 in the Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:0.2
occ:1.00
N A:SER107 2.8 0.0 1.0
CB A:SER107 3.4 0.3 1.0
CA A:SER107 3.6 0.0 1.0
N A:GLY108 3.7 0.5 1.0
C A:GLY106 3.7 0.4 1.0
CA A:GLY106 3.8 0.6 1.0
CG A:PRO110 3.8 94.0 1.0
CD A:PRO110 3.8 94.2 1.0
CZ A:PHE348 4.0 93.9 1.0
C A:SER107 4.1 0.9 1.0
CG2 A:ILE448 4.2 0.2 1.0
O A:GLY105 4.3 0.1 1.0
OG A:SER107 4.4 0.6 1.0
CE1 A:PHE348 4.5 92.4 1.0
CD1 A:ILE448 4.5 95.6 1.0
N A:GLY106 4.8 0.9 1.0
CA A:GLY108 4.8 0.9 1.0
O A:GLY106 4.8 0.9 1.0
CB A:PRO110 4.8 93.8 1.0
C A:GLY105 4.9 0.3 1.0

Chlorine binding site 3 out of 4 in 5hd8

Go back to Chlorine Binding Sites List in 5hd8
Chlorine binding site 3 out of 4 in the Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:0.4
occ:1.00
OH B:TYR445 2.7 0.5 1.0
OG B:SER107 3.0 0.3 1.0
N B:ILE356 3.2 0.6 1.0
CA B:GLY355 3.3 0.1 1.0
N B:PHE357 3.6 0.7 1.0
CZ B:TYR445 3.6 0.1 1.0
CD1 B:ILE109 3.7 0.2 1.0
C B:GLY355 3.8 0.7 1.0
CB B:SER107 3.9 0.1 1.0
CE1 B:TYR445 3.9 0.8 1.0
CB B:PHE357 3.9 0.0 1.0
N B:GLY149 4.2 0.8 1.0
CA B:ILE356 4.2 0.1 1.0
CG2 B:ILE356 4.3 0.9 1.0
OE1 B:GLU148 4.3 0.3 1.0
CA B:GLY149 4.3 1.0 1.0
CA B:PHE357 4.3 0.8 1.0
C B:ILE356 4.3 0.1 1.0
CA B:SER107 4.4 0.8 1.0
CG1 B:ILE109 4.6 0.1 1.0
N B:GLY355 4.7 0.5 1.0
CD2 B:PHE357 4.7 0.5 1.0
CB B:GLU148 4.8 0.8 1.0
CB B:ILE356 4.8 0.7 1.0
CE2 B:TYR445 4.8 0.1 1.0
CG B:PHE357 4.9 0.6 1.0
C B:SER107 5.0 0.2 1.0
CB B:ILE109 5.0 0.2 1.0
O B:SER107 5.0 0.7 1.0

Chlorine binding site 4 out of 4 in 5hd8

Go back to Chlorine Binding Sites List in 5hd8
Chlorine binding site 4 out of 4 in the Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:0.3
occ:1.00
N B:SER107 3.3 1.0 1.0
CB B:SER107 3.5 0.1 1.0
CG2 B:ILE448 3.6 0.8 1.0
CG B:PRO110 3.7 1.0 1.0
CZ B:PHE348 3.8 91.9 1.0
CA B:SER107 3.9 0.8 1.0
CD1 B:ILE448 3.9 0.6 1.0
CD B:PRO110 4.1 0.9 1.0
C B:GLY106 4.2 0.3 1.0
N B:GLY108 4.3 0.6 1.0
CA B:GLY106 4.3 0.0 1.0
CE1 B:PHE348 4.4 91.7 1.0
O B:GLY105 4.4 0.4 1.0
CE2 B:PHE348 4.6 92.8 1.0
C B:SER107 4.7 0.2 1.0
CB B:ILE448 4.7 0.1 1.0
NE2 B:GLN277 4.7 0.2 1.0
OG B:SER107 4.7 0.3 1.0
CG1 B:ILE448 4.7 0.5 1.0

Reference:

C.M.Khantwal, S.J.Abraham, W.Han, T.Jiang, T.S.Chavan, R.C.Cheng, S.M.Elvington, C.W.Liu, I.I.Mathews, R.A.Stein, H.S.Mchaourab, E.Tajkhorshid, M.Maduke. Conformational Change in Clc Transporters: Beyond the Rotation of Gluex To Be Published.
Page generated: Sat Dec 12 11:48:19 2020

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