Chlorine in PDB 9erb: Hydrogenase-2 Ni-B State

All present enzymatic activity of Hydrogenase-2 Ni-B State:
1.12.99.6;

The structure of Hydrogenase-2 Ni-B State, PDB code: 9erb 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)	49.87 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	99.737, 100.188, 168.477, 90, 90, 90
R / Rfree (%)	14.5 / 16.1

The structure of Hydrogenase-2 Ni-B State also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Magnesium	(Mg)	4 atoms
Iron	(Fe)	24 atoms

The binding sites of Chlorine atom in the Hydrogenase-2 Ni-B State (pdb code 9erb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Hydrogenase-2 Ni-B State, PDB code: 9erb:

Chlorine binding site 1 out of 1 in the Hydrogenase-2 Ni-B State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hydrogenase-2 Ni-B State within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl605 b:18.7 occ:1.00 H L:LEU229 2.3 13.7 1.0 HA L:ASN228 2.7 13.0 1.0 HG L:LEU229 2.9 14.5 1.0 O L:HOH1023 3.1 22.3 1.0 N L:LEU229 3.2 11.4 1.0 HG23 L:ILE450 3.3 18.1 1.0 HB3 L:HIS455 3.4 16.0 1.0 HG22 L:ILE227 3.5 13.6 1.0 HH21 S:ARG216 3.5 17.8 1.0 HB2 L:LEU229 3.6 16.2 1.0 CA L:ASN228 3.6 10.9 1.0 CG L:LEU229 3.8 12.1 1.0 C L:ASN228 3.9 11.5 1.0 O L:HOH814 3.9 25.4 1.0 HG21 L:ILE450 4.0 18.1 1.0 CG2 L:ILE450 4.0 15.1 1.0 HH22 S:ARG216 4.0 17.8 1.0 CB L:LEU229 4.0 13.5 1.0 HG22 L:ILE450 4.1 18.1 1.0 NH2 S:ARG216 4.1 14.8 1.0 HD12 L:LEU229 4.2 26.0 1.0 O L:ILE227 4.2 10.9 1.0 N L:ASN228 4.2 9.7 1.0 CA L:LEU229 4.2 12.4 1.0 HB2 L:HIS455 4.2 16.0 1.0 OD1 L:ASN228 4.2 12.3 1.0 CB L:HIS455 4.2 13.3 1.0 CG2 L:ILE227 4.3 11.3 1.0 HG23 L:ILE227 4.3 13.6 1.0 C L:ILE227 4.4 10.7 1.0 HD1 L:HIS455 4.5 20.8 1.0 CD1 L:LEU229 4.5 21.7 1.0 H L:ASP230 4.5 14.5 1.0 HG21 L:ILE227 4.7 13.6 1.0 H L:ASN228 4.7 11.7 1.0 CB L:ASN228 4.7 10.9 1.0 HD23 L:LEU229 4.8 23.0 1.0 HA L:LEU229 4.8 14.9 1.0 HD11 L:LEU229 4.8 26.0 1.0 CG L:ASN228 4.9 11.7 1.0 CD2 L:LEU229 4.9 19.1 1.0 HB3 L:LEU229 5.0 16.2 1.0 ND1 L:HIS455 5.0 17.4 1.0 HB2 L:ASN228 5.0 13.1 1.0

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.