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Chlorine in PDB 9eql: Hydrogenase-1 Ni-B State Poised at +300MV

Enzymatic activity of Hydrogenase-1 Ni-B State Poised at +300MV

All present enzymatic activity of Hydrogenase-1 Ni-B State Poised at +300MV:
1.12.99.6;

Protein crystallography data

The structure of Hydrogenase-1 Ni-B State Poised at +300MV, PDB code: 9eql was solved by S.B.Carr, W.Li, K.L.Wong, P.A.Ash, K.A.Vincent, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 67.28 / 1.51
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 93.372, 97.036, 183.219, 90, 90, 90
R / Rfree (%) 16.4 / 18.7

Other elements in 9eql:

The structure of Hydrogenase-1 Ni-B State Poised at +300MV also contains other interesting chemical elements:

Iron (Fe) 24 atoms
Nickel (Ni) 2 atoms
Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hydrogenase-1 Ni-B State Poised at +300MV (pdb code 9eql). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Hydrogenase-1 Ni-B State Poised at +300MV, PDB code: 9eql:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 9eql

Go back to Chlorine Binding Sites List in 9eql
Chlorine binding site 1 out of 4 in the Hydrogenase-1 Ni-B State Poised at +300MV


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hydrogenase-1 Ni-B State Poised at +300MV within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl404

b:21.9
occ:1.00
 O S:HOH576 3.0 25.0 1.0
N S:CYS120 3.1 16.1 1.0
O S:HOH659 3.1 35.3 1.0
N S:GLY256 3.2 18.6 1.0
CA S:CYS120 3.6 16.3 1.0
CG2 S:THR114 3.7 18.1 1.0
CB S:TRP118 3.7 20.0 1.0
CA S:GLY256 3.8 18.1 1.0
N S:GLY119 4.0 17.4 1.0
C S:GLY119 4.1 17.5 1.0
C S:ASN255 4.2 17.5 1.0
C S:TRP118 4.2 19.3 1.0
OD1 S:ASN255 4.2 21.2 1.0
CA S:ASN255 4.3 17.4 1.0
CA S:GLY119 4.3 16.5 1.0
O S:HOH663 4.3 33.9 1.0
O S:CYS120 4.3 15.2 1.0
O S:GLU254 4.4 16.7 1.0
N S:PHE257 4.4 17.7 1.0
C S:CYS120 4.5 15.4 1.0
O S:TRP118 4.5 20.2 1.0
C S:GLY256 4.6 16.5 1.0
CA S:TRP118 4.6 17.6 1.0
CD1 S:TRP258 4.6 15.2 1.0
CD1 S:PHE257 4.7 17.2 1.0
CG S:TRP118 4.7 22.4 1.0
O S:HOH628 4.8 30.7 1.0
CB S:CYS120 4.8 17.3 1.0
O S:THR114 4.9 14.4 1.0

Chlorine binding site 2 out of 4 in 9eql

Go back to Chlorine Binding Sites List in 9eql
Chlorine binding site 2 out of 4 in the Hydrogenase-1 Ni-B State Poised at +300MV


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hydrogenase-1 Ni-B State Poised at +300MV within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl405

b:31.1
occ:1.00
 O S:HOH656 2.9 33.2 1.0
O S:HOH573 2.9 33.8 1.0
N S:HIS13 3.2 15.6 1.0
NZ S:LYS98 3.3 31.6 1.0
OD2 S:ASP46 3.4 33.3 1.0
O S:HOH534 3.4 35.7 1.0
CB S:ILE12 3.5 17.2 1.0
CA S:ILE12 3.5 17.1 1.0
O S:HIS13 3.8 17.5 1.0
CE S:LYS98 3.8 31.5 1.0
C S:ILE12 3.9 16.4 1.0
CG2 S:ILE12 3.9 18.0 1.0
CG S:ASP46 4.0 31.9 1.0
CE1 S:TYR44 4.0 21.6 1.0
CA S:HIS13 4.1 16.4 1.0
CD S:LYS98 4.3 29.4 1.0
CB S:HIS13 4.3 17.3 1.0
C S:HIS13 4.4 16.8 1.0
OH S:TYR44 4.5 23.9 1.0
OD1 S:ASP46 4.5 34.7 1.0
CD2 S:HIS13 4.5 17.2 1.0
CE1 S:PHE95 4.6 18.0 1.0
CZ S:TYR44 4.7 23.3 1.0
O S:TRP11 4.7 18.1 1.0
CG S:HIS13 4.8 18.3 1.0
N S:ILE12 4.8 17.2 1.0
CB S:ASP46 4.8 27.2 1.0
CG1 S:ILE12 4.8 17.1 1.0
CD1 S:TYR44 5.0 21.2 1.0
CD1 S:PHE95 5.0 18.1 1.0

Chlorine binding site 3 out of 4 in 9eql

Go back to Chlorine Binding Sites List in 9eql
Chlorine binding site 3 out of 4 in the Hydrogenase-1 Ni-B State Poised at +300MV


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hydrogenase-1 Ni-B State Poised at +300MV within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl404

b:22.0
occ:1.00
 O T:HOH595 3.0 22.8 1.0
N T:GLY256 3.1 18.4 1.0
N T:CYS120 3.2 17.8 1.0
O T:HOH660 3.2 34.1 1.0
CG2 T:THR114 3.6 16.5 1.0
CB T:TRP118 3.6 22.2 1.0
CA T:CYS120 3.7 16.0 1.0
CA T:GLY256 3.8 17.9 1.0
N T:GLY119 4.1 18.0 1.0
C T:ASN255 4.1 19.3 1.0
C T:TRP118 4.1 20.6 1.0
C T:GLY119 4.2 18.5 1.0
CA T:ASN255 4.2 19.7 1.0
CA T:GLY119 4.3 16.9 1.0
OD1 T:ASN255 4.3 21.0 1.0
O T:GLU254 4.3 17.3 1.0
N T:PHE257 4.4 17.6 1.0
O T:CYS120 4.4 16.8 1.0
O T:HOH657 4.4 38.9 1.0
O T:TRP118 4.4 18.9 1.0
C T:CYS120 4.5 17.7 1.0
C T:GLY256 4.5 18.6 1.0
CA T:TRP118 4.6 20.0 1.0
CD1 T:TRP258 4.6 16.6 1.0
CD1 T:PHE257 4.7 20.3 1.0
CG T:TRP118 4.7 23.6 1.0
O T:HOH648 4.8 37.4 1.0
CB T:CYS120 4.8 17.1 1.0
O T:THR114 4.9 17.8 1.0

Chlorine binding site 4 out of 4 in 9eql

Go back to Chlorine Binding Sites List in 9eql
Chlorine binding site 4 out of 4 in the Hydrogenase-1 Ni-B State Poised at +300MV


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hydrogenase-1 Ni-B State Poised at +300MV within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl405

b:35.3
occ:1.00
 O T:HOH581 3.0 33.0 1.0
N T:HIS13 3.1 18.2 1.0
O T:HOH569 3.1 37.5 1.0
NZ T:LYS98 3.3 28.9 1.0
OD2 T:ASP46 3.4 39.8 1.0
CB T:ILE12 3.4 18.0 1.0
CA T:ILE12 3.4 19.2 1.0
CE T:LYS98 3.7 26.6 1.0
O T:HIS13 3.8 20.9 1.0
C T:ILE12 3.8 18.5 1.0
CG2 T:ILE12 3.8 18.8 1.0
CG T:ASP46 3.9 31.0 1.0
CD T:LYS98 4.0 27.5 1.0
CE1 T:TYR44 4.1 22.7 1.0
CA T:HIS13 4.1 17.5 1.0
OD1 T:ASP46 4.3 33.3 1.0
C T:HIS13 4.3 20.0 1.0
CB T:HIS13 4.4 18.2 1.0
CE1 T:PHE95 4.6 21.5 1.0
CD2 T:HIS13 4.6 18.9 1.0
OH T:TYR44 4.6 23.0 1.0
O T:TRP11 4.7 19.4 1.0
N T:ILE12 4.7 18.0 1.0
CG1 T:ILE12 4.7 19.3 1.0
CZ T:TYR44 4.8 21.9 1.0
CG T:HIS13 4.8 20.0 1.0
CB T:ASP46 4.9 26.8 1.0
CG T:LYS98 5.0 26.6 1.0
CD1 T:TYR44 5.0 21.7 1.0
CD1 T:PHE95 5.0 18.6 1.0

Reference:

S.B.Carr, W.Li, K.L.Wong, R.M.Evans, S.E.T.Kendall-Price, P.A.Ash, K.A.Vincent. Glutamate Flick Enables Proton Tunnelling During Fast Redox Biocatalysis To Be Published.
Page generated: Sun Jul 13 16:34:13 2025

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