Atomistry » Chlorine » PDB 3unh-3uwb » 3usc
Atomistry »
  Chlorine »
    PDB 3unh-3uwb »
      3usc »

Chlorine in PDB 3usc: Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form

Enzymatic activity of Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form

All present enzymatic activity of Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form:
1.12.99.6;

Protein crystallography data

The structure of Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form, PDB code: 3usc was solved by A.Volbeda, J.C.Fontecilla-Camps, C.Darnault, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 94.170, 98.160, 183.960, 90.00, 90.00, 90.00
R / Rfree (%) 14.1 / 17.7

Other elements in 3usc:

The structure of Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form 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 Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form (pdb code 3usc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form, PDB code: 3usc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 3usc

Go back to Chlorine Binding Sites List in 3usc
Chlorine binding site 1 out of 5 in the Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form


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 E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl405

b:13.9
occ:1.00
 O S:HOH547 3.0 14.7 1.0
N S:GLY256 3.1 10.5 1.0
N S:CYS120 3.2 5.0 1.0
O S:HOH602 3.2 20.4 1.0
CB S:TRP118 3.6 10.5 1.0
CG2 S:THR114 3.7 4.8 1.0
CA S:GLY256 3.7 8.6 1.0
CA S:CYS120 3.7 4.9 1.0
C S:ASN255 4.1 10.4 1.0
N S:GLY119 4.1 6.7 1.0
OD1 S:ASN255 4.1 14.2 1.0
C S:TRP118 4.1 8.1 1.0
CA S:ASN255 4.2 8.4 1.0
C S:GLY119 4.2 6.7 1.0
CA S:GLY119 4.3 5.5 1.0
O S:GLU254 4.4 7.1 1.0
O S:CYS120 4.4 5.4 1.0
N S:PHE257 4.4 6.8 1.0
O S:TRP118 4.4 8.1 1.0
C S:CYS120 4.5 5.5 1.0
C S:GLY256 4.6 9.1 1.0
CA S:TRP118 4.6 7.7 1.0
O S:HOH546 4.6 15.5 1.0
O S:HOH608 4.6 20.1 1.0
CG S:TRP118 4.7 11.2 1.0
CD1 S:TRP258 4.7 6.4 1.0
CD1 S:PHE257 4.7 6.7 1.0
O S:THR114 4.9 6.0 1.0
CB S:CYS120 4.9 4.7 1.0

Chlorine binding site 2 out of 5 in 3usc

Go back to Chlorine Binding Sites List in 3usc
Chlorine binding site 2 out of 5 in the Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form


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 E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl406

b:9.2
occ:0.70
 O S:HOH607 3.0 20.2 1.0
O S:HOH567 3.1 21.4 1.0
N S:HIS13 3.1 5.7 1.0
OD2 S:ASP46 3.4 23.5 1.0
NZ S:LYS98 3.4 19.5 1.0
CB S:ILE12 3.5 6.3 1.0
CA S:ILE12 3.6 5.8 1.0
O S:HOH675 3.6 22.6 1.0
CE S:LYS98 3.7 20.6 1.0
O S:HIS13 3.8 8.4 1.0
C S:ILE12 3.9 6.6 1.0
CG2 S:ILE12 3.9 5.5 1.0
CD S:LYS98 4.0 17.4 1.0
CG S:ASP46 4.1 21.1 1.0
CA S:HIS13 4.1 6.3 1.0
CE1 S:TYR44 4.2 12.6 1.0
C S:HIS13 4.3 8.2 1.0
CB S:HIS13 4.3 6.8 1.0
OH S:TYR44 4.5 11.1 1.0
CE1 S:PHE95 4.5 8.2 1.0
ND1 S:HIS13 4.6 12.6 1.0
OD1 S:ASP46 4.6 25.7 1.0
O S:HOH580 4.6 22.2 1.0
O S:TRP11 4.8 8.2 1.0
CG1 S:ILE12 4.8 7.9 1.0
N S:ILE12 4.9 6.2 1.0
CZ S:TYR44 4.9 11.2 1.0
CB S:ASP46 4.9 13.9 1.0
CG S:HIS13 4.9 10.0 1.0
CD1 S:PHE95 5.0 7.7 1.0
CE1 L:HIS30 5.0 13.7 1.0

Chlorine binding site 3 out of 5 in 3usc

Go back to Chlorine Binding Sites List in 3usc
Chlorine binding site 3 out of 5 in the Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form


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 E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl405

b:14.6
occ:1.00
 O T:HOH548 3.1 10.6 1.0
N T:GLY256 3.1 9.7 1.0
O T:HOH591 3.2 24.8 1.0
N T:CYS120 3.2 6.0 1.0
CB T:TRP118 3.6 10.2 1.0
CA T:CYS120 3.7 5.9 1.0
CG2 T:THR114 3.7 6.6 1.0
CA T:GLY256 3.8 7.5 1.0
N T:GLY119 4.0 8.4 1.0
C T:TRP118 4.1 9.2 1.0
OD1 T:ASN255 4.1 14.5 1.0
C T:ASN255 4.1 10.6 1.0
C T:GLY119 4.2 7.2 1.0
CA T:ASN255 4.2 10.1 1.0
CA T:GLY119 4.3 6.3 1.0
O T:TRP118 4.4 8.6 1.0
O T:CYS120 4.4 6.6 1.0
O T:GLU254 4.4 6.7 1.0
N T:PHE257 4.4 6.7 1.0
C T:CYS120 4.5 6.6 1.0
CA T:TRP118 4.5 9.1 1.0
C T:GLY256 4.6 9.7 1.0
O T:HOH570 4.6 20.0 1.0
CD1 T:TRP258 4.6 6.3 1.0
CG T:TRP118 4.7 12.4 1.0
CD1 T:PHE257 4.8 7.2 1.0
O T:HOH640 4.9 22.6 1.0
O T:THR114 4.9 7.3 1.0
CB T:CYS120 4.9 5.6 1.0

Chlorine binding site 4 out of 5 in 3usc

Go back to Chlorine Binding Sites List in 3usc
Chlorine binding site 4 out of 5 in the Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl406

b:14.1
occ:0.70
 O T:HOH620 3.0 23.6 1.0
O T:HOH580 3.1 19.0 1.0
N T:HIS13 3.1 8.7 1.0
NZ T:LYS98 3.2 21.9 1.0
OD2 T:ASP46 3.3 25.1 1.0
CB T:ILE12 3.5 8.3 1.0
CA T:ILE12 3.5 7.7 1.0
O T:HOH672 3.5 25.5 1.0
O T:HIS13 3.8 9.2 1.0
C T:ILE12 3.8 7.0 1.0
CG2 T:ILE12 3.9 7.6 1.0
CE T:LYS98 3.9 22.1 1.0
CG T:ASP46 4.0 22.1 1.0
CA T:HIS13 4.1 7.8 1.0
CD T:LYS98 4.1 18.8 1.0
CE1 T:TYR44 4.2 13.6 1.0
CB T:HIS13 4.3 7.6 1.0
C T:HIS13 4.3 9.0 1.0
OD1 T:ASP46 4.4 26.1 1.0
ND1 T:HIS13 4.5 14.2 1.0
OH T:TYR44 4.6 14.2 1.0
CE1 T:PHE95 4.6 9.2 1.0
O T:TRP11 4.7 7.2 1.0
N T:ILE12 4.9 6.5 1.0
CB T:ASP46 4.9 15.3 1.0
CZ T:TYR44 4.9 14.1 1.0
CG1 T:ILE12 4.9 9.3 1.0
CG T:HIS13 4.9 11.6 1.0

Chlorine binding site 5 out of 5 in 3usc

Go back to Chlorine Binding Sites List in 3usc
Chlorine binding site 5 out of 5 in the Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of E. Coli Hydrogenase-1 in A Ferricyanide-Oxidized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl407

b:34.5
occ:0.70
 N T:ARG174 3.3 11.8 1.0
CG T:ARG174 3.4 16.6 0.4
CB T:ASP173 3.5 10.2 1.0
CD T:ARG174 3.6 19.2 0.4
CG T:ARG174 3.6 17.1 0.6
CB T:ARG174 3.8 14.7 0.4
CB T:ARG174 3.8 15.2 0.6
CA T:ASP173 3.9 11.0 1.0
C T:ASP173 4.0 11.8 1.0
CA T:ARG174 4.2 14.2 0.6
CA T:ARG174 4.2 13.9 0.4
NE T:ARG174 4.4 17.5 0.4
NH2 T:ARG174 4.4 33.6 0.6
CD T:ARG174 4.5 26.4 0.6
CZ T:ARG174 4.6 36.2 0.6
NE T:ARG174 4.6 32.9 0.6
CG T:ASP173 4.7 11.1 1.0
NH2 T:ARG174 4.8 23.3 0.4
CZ T:ARG174 4.9 22.7 0.4

Reference:

A.Volbeda, P.Amara, C.Darnault, J.M.Mouesca, A.Parkin, M.M.Roessler, F.A.Armstrong, J.C.Fontecilla-Camps. X-Ray Crystallographic and Computational Studies of the O2-Tolerant [Nife]-Hydrogenase 1 From Escherichia Coli. Proc.Natl.Acad.Sci.Usa V. 109 5305 2012.
ISSN: ISSN 0027-8424
PubMed: 22431599
DOI: 10.1073/PNAS.1119806109
Page generated: Sun Jul 21 06:27:41 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy