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Chlorine in PDB 8iq0: Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Oxidized State

Enzymatic activity of Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Oxidized State

All present enzymatic activity of Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Oxidized State:
1.15.1.1;

Protein crystallography data

The structure of Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Oxidized State, PDB code: 8iq0 was solved by J.H.Zhou, W.X.Huang, R.X.Cheng, P.J.Zhang, Y.C.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.68 / 1.88
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 74.348, 91.474, 91.164, 85, 78.06, 66.76
R / Rfree (%) 20.1 / 24.5

Other elements in 8iq0:

The structure of Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Oxidized State also contains other interesting chemical elements:

Copper (Cu) 19 atoms
Zinc (Zn) 16 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Oxidized State (pdb code 8iq0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Oxidized State, PDB code: 8iq0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8iq0

Go back to Chlorine Binding Sites List in 8iq0
Chlorine binding site 1 out of 2 in the Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Oxidized State


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 Hydrogen Sulfide-Bound Superoxide Dismutase in Oxidized State within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl203

b:47.8
occ:1.00
ND2 L:ASN90 3.4 46.6 1.0
CD2 M:HIS19 3.5 43.2 1.0
OG1 M:THR30 3.7 35.4 1.0
CG M:HIS19 4.2 41.7 1.0
CB M:THR30 4.3 35.7 1.0
NE2 M:HIS19 4.3 44.5 1.0
CG L:ASN90 4.5 46.0 1.0
N M:GLY31 4.5 36.6 1.0
CB M:HIS19 4.6 39.6 1.0
CA M:GLY31 4.6 42.6 1.0
OD1 L:ASN90 4.7 47.8 1.0
C M:THR30 4.8 37.1 1.0

Chlorine binding site 2 out of 2 in 8iq0

Go back to Chlorine Binding Sites List in 8iq0
Chlorine binding site 2 out of 2 in the Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Oxidized State


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 Hydrogen Sulfide-Bound Superoxide Dismutase in Oxidized State within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cl203

b:41.5
occ:1.00
NE P:ARG141 2.9 17.1 1.0
O P:HOH368 3.3 16.7 1.0
O P:HOH407 3.3 22.8 1.0
NH2 P:ARG141 3.4 15.7 1.0
O P:HOH444 3.5 39.7 1.0
CZ P:ARG141 3.6 16.9 1.0
O P:HOH412 3.6 30.0 1.0
O P:GLY139 3.9 17.9 1.0
CD P:ARG141 3.9 17.0 1.0
CG P:ARG141 3.9 16.4 1.0
CE1 P:HIS118 4.2 12.7 1.0
O P:HOH408 4.8 25.0 1.0
O P:HOH413 4.8 17.5 1.0
ND1 P:HIS118 4.8 15.5 1.0
C P:GLY139 4.8 17.9 1.0
NH1 P:ARG141 4.9 13.9 1.0

Reference:

D.D.Wu, S.Jin, R.X.Cheng, W.J.Cai, W.L.Xue, Q.Q.Zhang, L.J.Yang, Q.Zhu, M.Y.Li, G.Lin, Y.Z.Wang, X.P.Mu, Y.Wang, I.Y.Zhang, Q.Zhang, Y.Chen, S.Y.Cai, B.Tan, Y.Li, Y.Q.Chen, P.J.Zhang, C.Sun, Y.Yin, M.J.Wang, Y.Z.Zhu, B.B.Tao, J.H.Zhou, W.X.Huang, Y.C.Zhu. Hydrogen Sulfide Functions As A Micro-Modulator Bound at the Copper Active Site of Cu/Zn-Sod to Regulate the Catalytic Activity of the Enzyme. Cell Rep V. 42 12750 2023.
ISSN: ESSN 2211-1247
PubMed: 37421623
DOI: 10.1016/J.CELREP.2023.112750
Page generated: Thu Dec 28 03:19:43 2023

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