Chlorine in PDB 6rp2: Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1

Enzymatic activity of Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1

All present enzymatic activity of Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1:
1.12.99.6;

Protein crystallography data

The structure of Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1, PDB code: 6rp2 was solved by S.B.Carr, F.A.Armstrong, L.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 86.07 / 1.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 93.720, 97.520, 183.060, 90.00, 90.00, 90.00
R / Rfree (%) 14.1 / 15.9

Other elements in 6rp2:

The structure of Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1 also contains other interesting chemical elements:

Nickel (Ni) 2 atoms
Magnesium (Mg) 2 atoms
Iron (Fe) 26 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1 (pdb code 6rp2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1, PDB code: 6rp2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6rp2

Go back to Chlorine Binding Sites List in 6rp2
Chlorine binding site 1 out of 2 in the Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl405

b:15.6
occ:1.00
O S:HOH609 3.0 15.2 1.0
N S:GLY256 3.1 12.1 1.0
N S:CYS120 3.1 10.6 1.0
O S:HOH688 3.2 23.5 1.0
CG2 S:THR114 3.7 11.5 1.0
CB S:TRP118 3.7 13.6 1.0
CA S:CYS120 3.7 9.7 1.0
CA S:GLY256 3.8 11.8 1.0
N S:GLY119 4.1 10.4 1.0
C S:TRP118 4.1 11.9 1.0
C S:ASN255 4.1 12.0 1.0
C S:GLY119 4.1 10.9 1.0
OD1 S:ASN255 4.2 14.8 1.0
CA S:ASN255 4.2 12.1 1.0
CA S:GLY119 4.3 10.9 1.0
O S:CYS120 4.3 10.4 1.0
O S:TRP118 4.4 12.9 1.0
O S:GLU254 4.4 12.5 1.0
N S:PHE257 4.4 11.4 1.0
C S:CYS120 4.5 10.1 1.0
O S:HOH684 4.5 23.9 1.0
CA S:TRP118 4.5 12.1 1.0
C S:GLY256 4.6 11.8 1.0
CD1 S:TRP258 4.6 10.4 1.0
CG S:TRP118 4.7 14.9 1.0
CD1 S:PHE257 4.8 11.1 1.0
O S:HOH634 4.8 29.4 1.0
O S:THR114 4.9 10.2 1.0
CB S:CYS120 4.9 9.7 1.0

Chlorine binding site 2 out of 2 in 6rp2

Go back to Chlorine Binding Sites List in 6rp2
Chlorine binding site 2 out of 2 in the Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl405

b:16.3
occ:1.00
O T:HOH635 3.0 15.3 1.0
N T:GLY256 3.1 12.3 1.0
O T:HOH674 3.1 25.8 1.0
N T:CYS120 3.2 10.7 1.0
CB T:TRP118 3.6 14.6 1.0
CA T:CYS120 3.7 10.3 1.0
CG2 T:THR114 3.7 11.8 1.0
CA T:GLY256 3.8 12.0 1.0
N T:GLY119 4.1 11.6 1.0
C T:ASN255 4.1 12.6 1.0
C T:TRP118 4.1 13.5 1.0
C T:GLY119 4.2 10.9 1.0
CA T:ASN255 4.2 12.6 1.0
OD1 T:ASN255 4.2 16.1 1.0
CA T:GLY119 4.3 11.0 1.0
O T:TRP118 4.3 14.9 1.0
O T:GLU254 4.4 12.3 1.0
O T:CYS120 4.4 10.5 1.0
N T:PHE257 4.4 11.8 1.0
O T:HOH678 4.4 27.2 1.0
C T:CYS120 4.5 10.8 1.0
CA T:TRP118 4.5 12.9 1.0
C T:GLY256 4.5 11.7 1.0
CD1 T:TRP258 4.6 11.6 1.0
CG T:TRP118 4.7 16.7 1.0
CD1 T:PHE257 4.8 10.9 1.0
CB T:CYS120 4.9 10.9 1.0
O T:THR114 4.9 11.7 1.0
O T:HOH657 5.0 30.7 1.0

Reference:

L.Zhang, S.E.Beaton, S.B.Carr, F.A.Armstrong. Direct Visible Light Activation of A Surface Cysteine-Engineered [Nife]-Hydrogenase By Silver Nanoclusters Energy Environ Sci 2018.
ISSN: ESSN 1754-5706
DOI: 10.1039/C8EE02361A
Page generated: Sat Dec 12 13:37:15 2020

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