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Chlorine in PDB 5mdj: Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in A Its As-Isolated High-Pressurized Form

Enzymatic activity of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in A Its As-Isolated High-Pressurized Form

All present enzymatic activity of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in A Its As-Isolated High-Pressurized Form:
1.12.99.6;

Protein crystallography data

The structure of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in A Its As-Isolated High-Pressurized Form, PDB code: 5mdj 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) 47.85 / 1.48
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.395, 95.696, 121.565, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 17.2

Other elements in 5mdj:

The structure of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in A Its As-Isolated High-Pressurized Form also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in A Its As-Isolated High-Pressurized Form (pdb code 5mdj). 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 Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in A Its As-Isolated High-Pressurized Form, PDB code: 5mdj:

Chlorine binding site 1 out of 1 in 5mdj

Go back to Chlorine Binding Sites List in 5mdj
Chlorine binding site 1 out of 1 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in A Its As-Isolated High-Pressurized 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 An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in A Its As-Isolated High-Pressurized Form within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1004

b:24.3
occ:1.00
 N S:CYS120 3.2 16.9 1.0
N S:GLY256 3.3 18.1 1.0
O S:HOH1121 3.3 25.6 1.0
O S:HOH1136 3.3 22.3 1.0
CA S:CYS120 3.5 16.1 1.0
CB S:TRP118 3.7 19.2 1.0
CA S:GLY256 3.9 19.5 1.0
O S:GLU254 4.1 18.1 1.0
CD1 S:PHE257 4.1 18.2 1.0
C S:ASP255 4.2 19.1 1.0
N S:GLY119 4.3 19.0 1.0
CE1 S:PHE257 4.3 17.9 1.0
N S:PHE257 4.3 19.1 1.0
CA S:ASP255 4.3 18.6 1.0
C S:GLY119 4.4 17.2 1.0
C S:TRP118 4.4 19.0 1.0
CB S:SER114 4.5 17.1 1.0
C S:CYS120 4.5 16.9 1.0
O S:SER114 4.5 17.9 1.0
CB S:CYS120 4.5 16.6 1.0
CD1 S:TRP258 4.5 18.2 1.0
O S:CYS120 4.6 19.0 1.0
CG S:TRP118 4.6 21.0 1.0
C S:GLY256 4.6 18.5 1.0
CA S:GLY119 4.6 17.1 1.0
CA S:TRP118 4.7 18.2 1.0
O S:TRP118 4.7 22.4 1.0
OD1 S:ASP255 4.8 21.1 1.0
O S:HOH1218 4.8 25.4 1.0
CD1 S:TRP118 4.8 21.4 1.0
NE1 S:TRP258 4.9 17.2 1.0
C S:GLU254 5.0 17.6 1.0

Reference:

J.Kalms, A.Schmidt, S.Frielingsdorf, T.Utesch, G.Gotthard, D.Von Stetten, P.Van Der Linden, A.Royant, M.A.Mroginski, P.Carpentier, O.Lenz, P.Scheerer. Tracking the Route of Molecular Oxygen in O2-Tolerant Membrane-Bound [Nife] Hydrogenase. Proc. Natl. Acad. Sci. V. 115 E2229 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29463722
DOI: 10.1073/PNAS.1712267115
Page generated: Fri Jul 26 12:36:13 2024

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