Atomistry » Chlorine » PDB 9edo-9ew6 » 9er6
Atomistry »
  Chlorine »
    PDB 9edo-9ew6 »
      9er6 »

Chlorine in PDB 9er6: Hydrogenase-1 Ni-Si State

Enzymatic activity of Hydrogenase-1 Ni-Si State

All present enzymatic activity of Hydrogenase-1 Ni-Si State:
1.12.99.6;

Protein crystallography data

The structure of Hydrogenase-1 Ni-Si State, PDB code: 9er6 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) 65.50 / 1.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 93.8, 96.188, 182.582, 90, 90, 90
R / Rfree (%) 17.1 / 18.4

Other elements in 9er6:

The structure of Hydrogenase-1 Ni-Si State 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-Si State (pdb code 9er6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Hydrogenase-1 Ni-Si State, PDB code: 9er6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 9er6

Go back to Chlorine Binding Sites List in 9er6
Chlorine binding site 1 out of 5 in the Hydrogenase-1 Ni-Si State


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-Si State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl404

b:18.3
occ:1.00
 O S:HOH591 2.9 16.0 1.0
N S:GLY256 3.1 13.4 1.0
N S:CYS120 3.1 11.6 1.0
O S:HOH654 3.2 24.5 1.0
CB S:TRP118 3.6 14.2 1.0
CA S:CYS120 3.7 11.7 1.0
CG2 S:THR114 3.7 11.8 1.0
CA S:GLY256 3.7 13.7 1.0
N S:GLY119 4.0 13.5 1.0
C S:TRP118 4.1 14.6 1.0
C S:GLY119 4.1 12.8 1.0
C S:ASN255 4.2 14.0 1.0
OD1 S:ASN255 4.2 15.2 1.0
CA S:GLY119 4.2 12.5 1.0
O S:CYS120 4.3 11.0 1.0
CA S:ASN255 4.3 13.7 1.0
O S:TRP118 4.3 14.6 1.0
N S:PHE257 4.4 13.5 1.0
O S:GLU254 4.4 12.2 1.0
C S:CYS120 4.4 11.1 1.0
C S:GLY256 4.5 13.3 1.0
CA S:TRP118 4.5 12.9 1.0
CD1 S:TRP258 4.6 11.1 1.0
O S:HOH541 4.7 26.5 1.0
CG S:TRP118 4.7 16.8 1.0
O S:THR114 4.8 10.3 1.0
CD1 S:PHE257 4.8 11.6 1.0
CB S:CYS120 4.9 10.6 1.0

Chlorine binding site 2 out of 5 in 9er6

Go back to Chlorine Binding Sites List in 9er6
Chlorine binding site 2 out of 5 in the Hydrogenase-1 Ni-Si State


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-Si State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl405

b:17.5
occ:1.00
 O S:HOH584 3.1 25.8 1.0
O S:HOH569 3.1 23.8 1.0
N S:HIS13 3.2 10.5 1.0
O S:HOH504 3.3 21.8 1.0
NZ S:LYS98 3.3 20.6 1.0
CB S:ILE12 3.5 10.7 1.0
CA S:ILE12 3.5 10.2 1.0
OD2 S:ASP46 3.7 21.3 1.0
CE S:LYS98 3.8 19.0 1.0
O S:HIS13 3.9 10.2 1.0
CG2 S:ILE12 3.9 11.1 1.0
C S:ILE12 3.9 10.8 1.0
O S:HOH595 4.1 24.6 1.0
CD S:LYS98 4.1 18.2 1.0
CE2 S:TYR44 4.1 14.8 1.0
CG S:ASP46 4.2 23.9 1.0
CA S:HIS13 4.2 10.3 1.0
CB S:HIS13 4.4 10.2 1.0
C S:HIS13 4.4 10.4 1.0
OH S:TYR44 4.5 17.3 1.0
CE1 S:PHE95 4.5 12.2 1.0
OD1 S:ASP46 4.6 25.7 1.0
CD2 S:HIS13 4.7 10.8 1.0
CZ S:TYR44 4.8 16.2 1.0
N S:ILE12 4.8 10.7 1.0
O S:TRP11 4.8 11.4 1.0
CG1 S:ILE12 4.9 11.5 1.0
CD1 S:PHE95 4.9 12.8 1.0
CG S:HIS13 4.9 10.3 1.0
CB S:ASP46 5.0 18.8 1.0

Chlorine binding site 3 out of 5 in 9er6

Go back to Chlorine Binding Sites List in 9er6
Chlorine binding site 3 out of 5 in the Hydrogenase-1 Ni-Si State


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-Si State within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl606

b:38.1
occ:1.00
 NE2 L:HIS421 3.2 21.2 1.0
O L:HOH1119 3.3 34.8 1.0
CD2 L:LEU417 3.5 15.9 1.0
CD2 L:LEU442 3.7 44.2 1.0
NE2 L:GLN446 3.9 18.0 1.0
OE1 L:GLN446 3.9 18.9 1.0
CD L:GLN446 3.9 19.1 1.0
CG L:LEU442 4.0 41.7 1.0
CE1 L:HIS421 4.1 23.5 1.0
CD2 L:HIS421 4.3 20.9 1.0
O L:HOH1021 4.7 22.5 1.0
CD1 L:LEU442 4.7 44.1 1.0
CG L:GLN446 4.8 17.6 1.0
CG2 L:ILE445 4.9 20.1 1.0
O L:LEU442 5.0 23.4 1.0

Chlorine binding site 4 out of 5 in 9er6

Go back to Chlorine Binding Sites List in 9er6
Chlorine binding site 4 out of 5 in the Hydrogenase-1 Ni-Si State


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-Si State within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl404

b:18.8
occ:1.00
 O T:HOH598 3.0 15.4 1.0
N T:CYS120 3.1 12.2 1.0
N T:GLY256 3.1 13.3 1.0
O T:HOH662 3.2 25.7 1.0
CB T:TRP118 3.6 15.2 1.0
CA T:CYS120 3.6 11.2 1.0
CG2 T:THR114 3.7 13.2 1.0
CA T:GLY256 3.7 12.7 1.0
N T:GLY119 4.0 13.5 1.0
C T:TRP118 4.0 14.8 1.0
C T:GLY119 4.1 11.9 1.0
C T:ASN255 4.2 13.2 1.0
CA T:GLY119 4.2 12.5 1.0
OD1 T:ASN255 4.2 16.4 1.0
O T:TRP118 4.2 15.7 1.0
O T:CYS120 4.3 11.3 1.0
CA T:ASN255 4.3 14.4 1.0
N T:PHE257 4.4 12.5 1.0
C T:CYS120 4.4 12.2 1.0
CA T:TRP118 4.5 14.5 1.0
O T:GLU254 4.5 12.5 1.0
C T:GLY256 4.5 12.7 1.0
CD1 T:TRP258 4.6 10.7 1.0
O T:HOH586 4.6 25.5 1.0
CG T:TRP118 4.7 16.1 1.0
O T:THR114 4.8 12.3 1.0
CB T:CYS120 4.8 11.3 1.0
CD1 T:PHE257 4.9 11.1 1.0

Chlorine binding site 5 out of 5 in 9er6

Go back to Chlorine Binding Sites List in 9er6
Chlorine binding site 5 out of 5 in the Hydrogenase-1 Ni-Si State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Hydrogenase-1 Ni-Si State within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl405

b:17.3
occ:1.00
 O T:HOH616 3.1 20.0 1.0
O T:HOH596 3.1 17.1 1.0
O T:HOH533 3.3 24.8 1.0
N T:HIS13 3.3 11.9 1.0
NZ T:LYS98 3.3 19.8 1.0
CB T:ILE12 3.5 13.3 1.0
CA T:ILE12 3.6 12.6 1.0
OD2 T:ASP46 3.8 19.4 1.0
CE T:LYS98 3.8 18.9 1.0
O T:HIS13 3.9 12.7 1.0
CG2 T:ILE12 3.9 13.4 1.0
C T:ILE12 4.0 13.1 1.0
CD T:LYS98 4.0 19.2 1.0
CE2 T:TYR44 4.1 16.3 1.0
O T:HOH620 4.1 18.6 1.0
CA T:HIS13 4.3 12.1 1.0
CG T:ASP46 4.3 21.1 1.0
CB T:HIS13 4.4 12.2 1.0
CE1 T:PHE95 4.4 14.0 1.0
C T:HIS13 4.5 12.3 1.0
OH T:TYR44 4.6 16.7 1.0
CD2 T:HIS13 4.8 12.2 1.0
O T:TRP11 4.8 13.3 1.0
OD1 T:ASP46 4.8 20.4 1.0
CD1 T:PHE95 4.8 13.2 1.0
CG1 T:ILE12 4.9 14.6 1.0
CZ T:TYR44 4.9 16.7 1.0
N T:ILE12 4.9 13.1 1.0
CG T:HIS13 5.0 12.2 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 16:34:25 2025

Last articles

Fe in 4OZ5
Fe in 4OMF
Fe in 4OXF
Fe in 4OU9
Fe in 4OV1
Fe in 4OWZ
Fe in 4OOA
Fe in 4OU8
Fe in 4OTJ
Fe in 4ORC
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy