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Zinc in PDB 4js6: Crystal Structure of Inhibitor-Free Hcaii H94D

Enzymatic activity of Crystal Structure of Inhibitor-Free Hcaii H94D

All present enzymatic activity of Crystal Structure of Inhibitor-Free Hcaii H94D:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Inhibitor-Free Hcaii H94D, PDB code: 4js6 was solved by D.P.Martin, Z.S.Hann, S.M.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.48 / 1.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.804, 41.217, 71.895, 90.00, 104.46, 90.00
R / Rfree (%) 18.4 / 22.2

Other elements in 4js6:

The structure of Crystal Structure of Inhibitor-Free Hcaii H94D also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Inhibitor-Free Hcaii H94D (pdb code 4js6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Inhibitor-Free Hcaii H94D, PDB code: 4js6:

Zinc binding site 1 out of 1 in 4js6

Go back to Zinc Binding Sites List in 4js6
Zinc binding site 1 out of 1 in the Crystal Structure of Inhibitor-Free Hcaii H94D


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 Inhibitor-Free Hcaii H94D within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:8.0
occ:1.00
OD1 A:ASP94 2.0 6.5 1.0
O A:HOH401 2.0 6.5 1.0
ND1 A:HIS119 2.1 3.9 1.0
NE2 A:HIS96 2.1 5.2 1.0
O A:HOH402 2.4 8.5 1.0
CE1 A:HIS119 2.9 2.8 1.0
CG A:ASP94 3.0 7.5 1.0
CD2 A:HIS96 3.1 6.0 1.0
CG A:HIS119 3.1 4.2 1.0
CE1 A:HIS96 3.1 6.4 1.0
OD2 A:ASP94 3.5 9.7 1.0
CB A:HIS119 3.6 3.3 1.0
O A:HOH407 3.9 10.5 1.0
OG1 A:THR199 3.9 5.5 1.0
O A:HOH404 4.1 15.0 1.0
NE2 A:HIS119 4.1 3.7 1.0
CD2 A:HIS119 4.2 3.2 1.0
CG A:HIS96 4.2 5.7 1.0
ND1 A:HIS96 4.2 5.9 1.0
O A:HOH573 4.3 26.8 1.0
OE1 A:GLU106 4.3 4.6 1.0
CB A:ASP94 4.4 6.7 1.0
O A:HOH403 4.5 21.7 1.0
O A:ASP94 4.7 5.8 1.0
C A:ASP94 4.9 5.3 1.0
O A:HOH408 4.9 13.6 1.0
CA A:HIS119 5.0 3.2 1.0

Reference:

D.P.Martin, Z.S.Hann, S.M.Cohen. Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II As A Model For Probing Metal-Ligand Interactions in A Metalloprotein Active Site. Inorg.Chem. V. 52 12207 2013.
ISSN: ISSN 0020-1669
PubMed: 23706138
DOI: 10.1021/IC400295F
Page generated: Wed Dec 16 05:26:54 2020

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