Chlorine in PDB 8iq0: 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;

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

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

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 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 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

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