Iodine in PDB 2gsq: Glutathione S-Transferase From Squid Digestive Gland Complexed with S- (3-Iodobenzyl)Glutathione

All present enzymatic activity of Glutathione S-Transferase From Squid Digestive Gland Complexed with S- (3-Iodobenzyl)Glutathione:
2.5.1.18;

The structure of Glutathione S-Transferase From Squid Digestive Gland Complexed with S- (3-Iodobenzyl)Glutathione, PDB code: 2gsq was solved by X.Ji, R.N.Armstrong, G.L.Gilliland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.150, 73.150, 94.880, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Iodine atom in the Glutathione S-Transferase From Squid Digestive Gland Complexed with S- (3-Iodobenzyl)Glutathione (pdb code 2gsq). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Glutathione S-Transferase From Squid Digestive Gland Complexed with S- (3-Iodobenzyl)Glutathione, PDB code: 2gsq:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Glutathione S-Transferase From Squid Digestive Gland Complexed with S- (3-Iodobenzyl)Glutathione


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Glutathione S-Transferase From Squid Digestive Gland Complexed with S- (3-Iodobenzyl)Glutathione within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:28.5 occ:1.00 I3' A:GBI203 0.0 28.5 1.0 C3' A:GBI203 2.1 27.8 1.0 C4' A:GBI203 3.0 27.9 1.0 O4 A:SO4300 3.1 35.2 1.0 C2' A:GBI203 3.1 27.8 1.0 CD1 A:PHE202 3.8 30.0 1.0 OXT A:PHE202 3.8 26.6 1.0 O3 A:SO4300 3.9 34.5 1.0 O A:HOH378 3.9 11.1 0.5 CA A:GLY12 3.9 14.2 1.0 S A:SO4300 4.0 34.9 1.0 CB A:PHE202 4.3 28.5 1.0 C5' A:GBI203 4.3 28.3 1.0 CD1 A:LEU10 4.3 21.4 1.0 C1' A:GBI203 4.4 27.5 1.0 CG A:PHE202 4.4 28.6 1.0 C A:PHE202 4.6 27.7 1.0 CE1 A:PHE202 4.6 29.6 1.0 N A:GLY12 4.6 15.5 1.0 O1 A:SO4300 4.8 36.0 1.0 C6' A:GBI203 4.9 27.9 1.0

Iodine binding site 2 out of 2 in the Glutathione S-Transferase From Squid Digestive Gland Complexed with S- (3-Iodobenzyl)Glutathione


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Glutathione S-Transferase From Squid Digestive Gland Complexed with S- (3-Iodobenzyl)Glutathione within 5.0Å range: probe atom residue distance (Å) B Occ A:I204 b:40.1 occ:0.50 I3' A:GBI204 0.0 40.1 0.5 C3' A:GBI204 2.1 37.5 0.5 C4' A:GBI204 3.0 37.3 0.5 C2' A:GBI204 3.1 36.8 0.5 CE A:LYS103 4.0 29.2 1.0 OD1 A:ASN118 4.1 33.9 1.0 CD A:LYS103 4.2 28.6 1.0 C5' A:GBI204 4.3 36.6 0.5 C1' A:GBI204 4.4 36.2 0.5 CG A:ASN118 4.9 31.8 1.0 C6' A:GBI204 4.9 36.3 0.5

X.Ji, E.C.Von Rosenvinge, W.W.Johnson, R.N.Armstrong, G.L.Gilliland. Location of A Potential Transport Binding Site in A Sigma Class Glutathione Transferase By X-Ray Crystallography. Proc.Natl.Acad.Sci.Usa V. 93 8208 1996.
ISSN: ISSN 0027-8424
PubMed: 8710848
DOI: 10.1073/PNAS.93.16.8208