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Chlorine in PDB 4ttt: Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3

Enzymatic activity of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3

All present enzymatic activity of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3:
1.12.99.6;

Protein crystallography data

The structure of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3, PDB code: 4ttt was solved by A.Schmidt, J.Kalms, P.Scheerer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.83 / 1.72
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.774, 95.570, 119.228, 90.00, 90.00, 90.00
R / Rfree (%) 13.4 / 16.5

Other elements in 4ttt:

The structure of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 also contains other interesting chemical elements:

Nickel (Ni) 1 atom
Magnesium (Mg) 1 atom
Iron (Fe) 12 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 (pdb code 4ttt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3, PDB code: 4ttt:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4ttt

Go back to Chlorine Binding Sites List in 4ttt
Chlorine binding site 1 out of 3 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl704

b:34.5
occ:1.00
 O L:HOH962 2.7 21.4 1.0
O L:HOH973 2.7 26.2 1.0
NE L:ARG88 2.9 19.1 1.0
NH1 L:ARG106 3.1 19.7 1.0
CD L:ARG106 3.4 17.7 1.0
NH2 L:ARG88 3.6 19.8 1.0
CG L:ARG88 3.7 18.1 1.0
CZ L:ARG88 3.7 19.2 1.0
CD1 L:ILE98 3.7 21.1 1.0
CD1 L:LEU84 3.8 17.5 1.0
CD L:ARG88 3.9 18.2 1.0
CZ L:ARG106 4.1 18.2 1.0
NE L:ARG106 4.2 17.5 1.0
O L:HOH1047 4.3 26.8 1.0
O L:HOH1102 4.4 32.7 1.0
CB L:ARG106 4.5 18.1 1.0
O L:HOH926 4.5 21.6 1.0
CG L:ARG106 4.6 17.9 1.0
O L:HOH1134 4.6 32.7 1.0
ND1 L:HIS103 4.8 25.7 1.0
OE1 L:GLU91 4.9 19.7 1.0
CG1 L:ILE98 5.0 21.5 1.0
CG L:LEU84 5.0 15.9 1.0

Chlorine binding site 2 out of 3 in 4ttt

Go back to Chlorine Binding Sites List in 4ttt
Chlorine binding site 2 out of 3 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1004

b:28.1
occ:1.00
 O S:HOH1156 3.1 22.9 1.0
N S:CYS120 3.2 17.7 1.0
N S:GLY256 3.2 22.1 1.0
O S:HOH1168 3.3 28.3 1.0
CA S:CYS120 3.5 17.2 1.0
CB S:TRP118 3.6 22.5 1.0
CA S:GLY256 3.9 22.7 1.0
O S:GLU254 4.2 21.6 1.0
CD1 S:PHE257 4.2 20.6 1.0
C S:ASP255 4.2 21.9 1.0
N S:GLY119 4.3 21.0 1.0
N S:PHE257 4.3 19.5 1.0
C S:TRP118 4.3 22.4 1.0
C S:GLY119 4.3 19.3 1.0
CE1 S:PHE257 4.4 19.4 1.0
CA S:ASP255 4.4 21.1 1.0
C S:CYS120 4.4 17.6 1.0
CD1 S:TRP258 4.4 18.2 1.0
O S:CYS120 4.5 18.4 1.0
CB S:CYS120 4.5 17.2 1.0
CB S:SER114 4.5 17.4 1.0
C S:GLY256 4.5 21.1 1.0
O S:SER114 4.6 20.4 1.0
CG S:TRP118 4.6 22.9 1.0
CA S:TRP118 4.6 22.4 1.0
O S:TRP118 4.6 22.1 1.0
CA S:GLY119 4.6 19.9 1.0
OD1 S:ASP255 4.7 25.2 1.0
O S:HOH1196 4.7 24.6 1.0
O S:HOH1238 4.7 36.3 1.0
NE1 S:TRP258 4.8 18.4 1.0
CD1 S:TRP118 4.8 22.9 1.0
C S:GLU254 5.0 21.0 1.0

Chlorine binding site 3 out of 3 in 4ttt

Go back to Chlorine Binding Sites List in 4ttt
Chlorine binding site 3 out of 3 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1005

b:58.1
occ:1.00
 O S:HOH1147 3.0 29.7 1.0
CD2 S:LEU267 3.5 27.9 1.0
CE S:LYS222 3.6 22.4 1.0
CD S:LYS222 3.8 21.3 1.0
CB S:LYS260 3.8 26.0 1.0
CD S:LYS260 3.9 29.2 1.0
O S:LYS260 4.2 31.5 1.0
CG S:LYS222 4.4 20.9 1.0
OG1 S:THR225 4.4 25.9 1.0
CG S:LYS260 4.4 27.3 1.0
O S:HOH1179 4.5 31.4 1.0
O S:HOH1174 4.6 25.0 1.0
CG S:LEU267 4.7 25.2 1.0
O S:HOH1250 4.7 38.3 1.0
O S:HOH1176 4.7 27.9 1.0
O S:HOH1171 4.8 30.1 1.0
O S:HOH1220 4.9 36.8 1.0
NZ S:LYS222 4.9 22.2 1.0
CA S:LYS260 5.0 25.6 1.0
C S:LYS260 5.0 27.2 1.0

Reference:

A.Schmidt, J.Kalms, S.Frielingsdorf, R.Evans, J.Fritsch, F.Armstrong, O.Lenz, P.Scheerer. Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 To Be Published.
Page generated: Fri Jul 26 01:55:42 2024

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