Zinc in PDB 7d9l: Crystal Structure of E. Coli GRX2: Enzyme Inhibited State in Complex with Zinc and Glutathione Sulfinic Acid

The structure of Crystal Structure of E. Coli GRX2: Enzyme Inhibited State in Complex with Zinc and Glutathione Sulfinic Acid, PDB code: 7d9l was solved by S.N.Sreekumar, A.Arockiasamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.32 / 1.61
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	46.095, 106.758, 42.13, 90, 90, 90
R / Rfree (%)	13 / 18.2

The structure of Crystal Structure of E. Coli GRX2: Enzyme Inhibited State in Complex with Zinc and Glutathione Sulfinic Acid also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the Crystal Structure of E. Coli GRX2: Enzyme Inhibited State in Complex with Zinc and Glutathione Sulfinic Acid (pdb code 7d9l). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of E. Coli GRX2: Enzyme Inhibited State in Complex with Zinc and Glutathione Sulfinic Acid, PDB code: 7d9l:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of E. Coli GRX2: Enzyme Inhibited State in Complex with Zinc and Glutathione Sulfinic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of E. Coli GRX2: Enzyme Inhibited State in Complex with Zinc and Glutathione Sulfinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:13.1 occ:1.00 O2S A:GSF305 1.9 15.8 1.0 NE2 A:HIS8 2.1 9.9 1.0 O A:HOH527 2.1 16.4 1.0 O2 A:OXY306 2.2 18.4 1.0 O1 A:OXY306 2.5 15.6 1.0 O A:HOH524 2.9 20.7 1.0 CD2 A:HIS8 3.0 8.2 1.0 SG2 A:GSF305 3.0 15.1 1.0 CE1 A:HIS8 3.1 9.0 1.0 O1S A:GSF305 3.1 19.9 1.0 CB2 A:GSF305 3.7 8.3 1.0 CE1 A:PHE122 4.1 9.5 1.0 CG A:HIS8 4.2 8.2 1.0 ND1 A:HIS8 4.2 9.1 1.0 NZ A:LYS126 4.3 25.0 1.0 CE A:LYS126 4.3 23.4 1.0 O A:HOH498 4.4 34.8 1.0 O A:HOH401 4.5 44.3 1.0 O A:HOH463 4.6 32.9 1.0 CA A:CYS9 4.8 7.7 1.0 CB A:CYS9 4.8 10.1 1.0 CD2 A:TYR6 4.9 7.6 1.0 CD1 A:PHE122 5.0 9.9 1.0 CZ A:PHE122 5.0 8.5 1.0 CD A:PRO10 5.0 9.5 1.0 CA2 A:GSF305 5.0 9.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of E. Coli GRX2: Enzyme Inhibited State in Complex with Zinc and Glutathione Sulfinic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of E. Coli GRX2: Enzyme Inhibited State in Complex with Zinc and Glutathione Sulfinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:19.0 occ:1.00 OE1 A:GLU170 2.0 19.5 1.0 NE2 A:HIS67 2.0 25.0 1.0 CL A:CL303 2.3 26.8 1.0 CD A:GLU170 2.6 22.3 1.0 OE2 A:GLU170 2.7 24.0 1.0 CE1 A:HIS67 3.0 33.0 1.0 CD2 A:HIS67 3.0 20.8 1.0 O A:HOH402 3.8 28.4 1.0 ND1 A:HIS67 4.1 28.8 1.0 CG A:GLU170 4.1 21.4 1.0 CG A:HIS67 4.1 16.6 1.0 CG A:MET63 4.3 22.1 1.0 NH2 A:ARG82 4.6 21.8 1.0 CB A:GLU170 4.7 18.7 1.0 O A:HOH514 4.8 25.8 1.0 CG1 A:VAL66 4.9 12.5 1.0

S.N.Sreekumar, A.Arockiasamy. Crystal Structure of E. Coli GRX2: Enzyme Inhibited State in Complex with Zinc and Glutathione Sulfinic Acid To Be Published.