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Chlorine in PDB 5jsy: The 3D Structure of the Ni-Reconstituted U489C Variant of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough at 1.04 Angstrom Resolution

Enzymatic activity of The 3D Structure of the Ni-Reconstituted U489C Variant of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough at 1.04 Angstrom Resolution

All present enzymatic activity of The 3D Structure of the Ni-Reconstituted U489C Variant of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough at 1.04 Angstrom Resolution:
1.12.7.2;

Protein crystallography data

The structure of The 3D Structure of the Ni-Reconstituted U489C Variant of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough at 1.04 Angstrom Resolution, PDB code: 5jsy was solved by M.C.Marques, I.A.C.Pereira, P.M.Matias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.20 / 1.04
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 106.324, 62.857, 110.823, 90.00, 105.18, 90.00
R / Rfree (%) 11.2 / 12.8

Other elements in 5jsy:

The structure of The 3D Structure of the Ni-Reconstituted U489C Variant of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough at 1.04 Angstrom Resolution also contains other interesting chemical elements:

Nickel (Ni) 3 atoms
Iron (Fe) 14 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The 3D Structure of the Ni-Reconstituted U489C Variant of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough at 1.04 Angstrom Resolution (pdb code 5jsy). 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 The 3D Structure of the Ni-Reconstituted U489C Variant of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough at 1.04 Angstrom Resolution, PDB code: 5jsy:

Chlorine binding site 1 out of 1 in 5jsy

Go back to Chlorine Binding Sites List in 5jsy
Chlorine binding site 1 out of 1 in the The 3D Structure of the Ni-Reconstituted U489C Variant of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough at 1.04 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The 3D Structure of the Ni-Reconstituted U489C Variant of [Nifese] Hydrogenase From Desulfovibrio Vulgaris Hildenborough at 1.04 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl605

b:7.9
occ:1.00
HG1 B:THR80 2.2 9.1 1.0
HD22 B:ASN113 2.3 9.2 1.0
H B:ALA81 2.6 8.6 1.0
HA B:CYS78 2.7 9.9 1.0
HE1 B:PHE110 2.8 9.9 1.0
HB2 B:ALA81 2.9 9.2 1.0
OG1 B:THR80 3.0 7.6 1.0
HD3 B:PRO421 3.0 9.4 1.0
HB2 B:CYS78 3.1 10.9 1.0
ND2 B:ASN113 3.1 7.7 1.0
HD2 B:PRO421 3.2 9.4 1.0
N B:ALA81 3.2 7.1 1.0
HG2 B:PRO421 3.3 10.5 1.0
CD B:PRO421 3.4 7.9 1.0
CA B:CYS78 3.4 8.2 1.0
HB3 B:ASN113 3.4 9.2 1.0
HD21 B:ASN113 3.5 9.2 1.0
CE1 B:PHE110 3.6 8.2 1.0
O B:CYS78 3.6 8.3 1.0
C B:CYS78 3.6 7.7 1.0
HD1 B:PHE110 3.6 9.4 1.0
CB B:ALA81 3.6 7.7 1.0
H B:THR80 3.6 8.2 1.0
CB B:CYS78 3.7 9.1 1.0
CG B:PRO421 3.7 8.8 1.0
HB3 B:ALA81 3.7 9.2 1.0
HG3 B:PRO421 3.9 10.5 1.0
CA B:ALA81 4.0 7.3 1.0
CB B:THR80 4.0 7.4 1.0
N B:THR80 4.0 6.8 1.0
CD1 B:PHE110 4.0 7.8 1.0
C B:THR80 4.0 7.0 1.0
HB3 B:CYS78 4.1 10.9 1.0
HB B:THR80 4.1 8.9 1.0
CG B:ASN113 4.1 7.3 1.0
CA B:THR80 4.2 6.9 1.0
CB B:ASN113 4.2 7.6 1.0
HA B:ALA81 4.2 8.8 1.0
N B:PRO79 4.4 7.0 1.0
HB1 B:ALA81 4.5 9.2 1.0
HA B:ALA420 4.6 9.4 1.0
HD2 B:PRO79 4.6 8.9 1.0
O B:VAL77 4.6 8.8 1.0
HB2 B:ASN113 4.7 9.2 1.0
N B:CYS78 4.7 7.8 1.0
CZ B:PHE110 4.7 8.5 1.0
HB1 B:ALA420 4.7 9.8 1.0
C B:PRO79 4.8 6.9 1.0
N B:PRO421 4.8 7.2 1.0
HZ B:PHE110 4.9 10.2 1.0
HE1 B:MET183 4.9 10.0 1.0
HD1 B:TYR114 4.9 10.7 1.0

Reference:

M.C.Marques, C.Tapia, O.Gutierrez-Sanz, A.R.Ramos, K.L.Keller, J.D.Wall, A.L.De Lacey, P.M.Matias, I.A.C.Pereira. The Direct Role of Selenocysteine in [Nifese] Hydrogenase Maturation and Catalysis. Nat. Chem. Biol. V. 13 544 2017.
ISSN: ESSN 1552-4469
PubMed: 28319099
DOI: 10.1038/NCHEMBIO.2335
Page generated: Fri Jul 26 10:15:06 2024

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