Bromine in PDB 6k5a: Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr

Protein crystallography data

The structure of Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr, PDB code: 6k5a was solved by K.Park, H.H.Lim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.69 / 3.16
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 232.184, 101.338, 172.074, 90.00, 132.10, 90.00
R / Rfree (%) 22.2 / 27.6

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr (pdb code 6k5a). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr, PDB code: 6k5a:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 6k5a

Go back to Bromine Binding Sites List in 6k5a
Bromine binding site 1 out of 4 in the Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br501

b:0.3
occ:1.00
N A:ILE356 2.9 0.4 1.0
OG A:SER107 2.9 0.3 1.0
OH A:TYR445 3.0 0.4 1.0
OD1 A:ASP148 3.1 0.6 1.0
CA A:GLY355 3.1 0.6 1.0
C A:GLY355 3.5 1.0 1.0
N A:PHE357 3.7 0.2 1.0
CA A:GLY149 3.8 0.6 1.0
CB A:SER107 3.8 0.4 1.0
N A:GLY149 3.9 0.2 1.0
CA A:ILE356 4.0 0.6 1.0
CZ A:TYR445 4.0 0.8 1.0
CG2 A:ILE356 4.0 0.8 1.0
CD1 A:ILE109 4.1 0.5 1.0
CB A:PHE357 4.2 0.4 1.0
CG A:ASP148 4.2 0.1 1.0
CE1 A:TYR445 4.3 0.8 1.0
CB A:ILE356 4.4 0.5 1.0
C A:ILE356 4.4 0.1 1.0
N A:GLY355 4.4 0.2 1.0
CD1 A:PHE357 4.5 0.5 1.0
CG1 A:ILE109 4.6 0.3 1.0
CA A:SER107 4.6 0.4 1.0
CA A:PHE357 4.6 0.8 1.0
O A:GLY355 4.8 0.4 1.0
CG A:PHE357 4.8 0.9 1.0
C A:ASP148 4.9 0.9 1.0

Bromine binding site 2 out of 4 in 6k5a

Go back to Bromine Binding Sites List in 6k5a
Bromine binding site 2 out of 4 in the Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br502

b:0.0
occ:1.00
N A:SER107 3.0 0.9 1.0
CB A:SER107 3.5 0.4 1.0
CA A:SER107 3.7 0.4 1.0
CD1 A:ILE448 3.9 0.0 1.0
C A:GLY106 4.0 0.8 1.0
CA A:GLY106 4.0 0.7 1.0
CZ A:PHE348 4.0 94.7 1.0
CG A:PRO110 4.1 0.2 1.0
N A:GLY108 4.1 0.4 1.0
CD A:PRO110 4.2 0.7 1.0
CG2 A:ILE448 4.3 0.4 1.0
O A:GLY105 4.4 0.9 1.0
CE1 A:PHE348 4.5 0.7 1.0
C A:SER107 4.5 0.2 1.0
OG A:SER107 4.7 0.3 1.0
CE2 A:PHE348 4.9 0.6 1.0

Bromine binding site 3 out of 4 in 6k5a

Go back to Bromine Binding Sites List in 6k5a
Bromine binding site 3 out of 4 in the Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br501

b:0.1
occ:1.00
OH B:TYR445 2.3 0.8 1.0
N B:ILE356 2.4 0.4 1.0
CA B:GLY355 2.9 0.4 1.0
OG B:SER107 3.0 0.8 1.0
C B:GLY355 3.1 0.2 1.0
OD1 B:ASP148 3.3 0.9 1.0
N B:PHE357 3.4 0.4 1.0
CA B:ILE356 3.4 0.3 1.0
CG2 B:ILE356 3.5 0.2 1.0
CZ B:TYR445 3.6 0.4 1.0
C B:ILE356 3.8 0.4 1.0
CB B:SER107 3.9 0.1 1.0
CB B:ILE356 3.9 0.3 1.0
CE1 B:TYR445 4.2 0.8 1.0
N B:GLY355 4.3 0.2 1.0
O B:GLY355 4.3 0.8 1.0
CB B:PHE357 4.3 0.8 1.0
CA B:PHE357 4.4 0.3 1.0
CG B:ASP148 4.4 0.3 1.0
CZ B:PHE348 4.6 0.4 1.0
CE1 B:PHE348 4.7 0.9 1.0
CE2 B:TYR445 4.7 0.3 1.0
N B:GLY149 4.7 0.6 1.0
CA B:SER107 4.8 0.7 1.0
O B:ILE356 4.8 0.8 1.0
CA B:GLY149 4.9 0.6 1.0
OD2 B:ASP148 5.0 0.6 1.0

Bromine binding site 4 out of 4 in 6k5a

Go back to Bromine Binding Sites List in 6k5a
Bromine binding site 4 out of 4 in the Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br502

b:0.1
occ:1.00
N B:SER107 3.3 0.7 1.0
CD1 B:ILE448 3.6 0.5 1.0
CG B:PRO110 3.6 0.2 1.0
CB B:SER107 3.6 0.1 1.0
CD B:PRO110 3.7 0.5 1.0
N B:GLY108 3.8 0.3 1.0
CA B:SER107 4.0 0.7 1.0
CZ B:PHE348 4.0 0.4 1.0
OG B:SER107 4.1 0.8 1.0
CG2 B:ILE448 4.2 0.0 1.0
C B:GLY106 4.3 0.0 1.0
C B:SER107 4.4 0.0 1.0
CA B:GLY106 4.4 0.8 1.0
CE1 B:PHE348 4.5 0.9 1.0
CB B:PRO110 4.6 0.7 1.0
O B:GLY105 4.8 0.8 1.0
CA B:GLY108 4.8 0.8 1.0
CG1 B:ILE448 4.8 0.1 1.0
CE2 B:PHE348 4.8 0.8 1.0

Reference:

K.Park, B.C.Lee, H.H.Lim. Mutation of External Glutamate Residue Reveals A New Intermediate Transport State and Anion Binding Site in A Clc Cl-/H+Antiporter. Proc.Natl.Acad.Sci.Usa V. 116 17345 2019.
ISSN: ESSN 1091-6490
PubMed: 31409705
DOI: 10.1073/PNAS.1901822116
Page generated: Sat Dec 12 02:34:23 2020

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