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Zinc in PDB 3bet: Crystal Structure of the Human Carbonic Anhydrase II in Complex with Stx 641 at 1.85 Angstroms Resolution

Enzymatic activity of Crystal Structure of the Human Carbonic Anhydrase II in Complex with Stx 641 at 1.85 Angstroms Resolution

All present enzymatic activity of Crystal Structure of the Human Carbonic Anhydrase II in Complex with Stx 641 at 1.85 Angstroms Resolution:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of the Human Carbonic Anhydrase II in Complex with Stx 641 at 1.85 Angstroms Resolution, PDB code: 3bet was solved by A.Di Fiore, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.170, 41.490, 71.580, 90.00, 104.07, 90.00
R / Rfree (%) 17 / 20.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Human Carbonic Anhydrase II in Complex with Stx 641 at 1.85 Angstroms Resolution (pdb code 3bet). 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 the Human Carbonic Anhydrase II in Complex with Stx 641 at 1.85 Angstroms Resolution, PDB code: 3bet:

Zinc binding site 1 out of 1 in 3bet

Go back to Zinc Binding Sites List in 3bet
Zinc binding site 1 out of 1 in the Crystal Structure of the Human Carbonic Anhydrase II in Complex with Stx 641 at 1.85 Angstroms Resolution


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 the Human Carbonic Anhydrase II in Complex with Stx 641 at 1.85 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:8.6
occ:1.00
 NE2 A:HIS94 2.1 7.2 1.0
N1 A:CTF264 2.1 11.3 1.0
NE2 A:HIS96 2.1 6.5 1.0
ND1 A:HIS119 2.1 5.8 1.0
CD2 A:HIS94 2.9 6.3 1.0
CD2 A:HIS96 3.0 6.8 1.0
CE1 A:HIS119 3.0 5.2 1.0
S1 A:CTF264 3.0 16.3 1.0
O1 A:CTF264 3.1 15.1 1.0
CE1 A:HIS94 3.1 7.6 1.0
CE1 A:HIS96 3.1 6.6 1.0
CG A:HIS119 3.2 5.9 1.0
O3 A:CTF264 3.4 17.3 1.0
CB A:HIS119 3.6 5.6 1.0
OG1 A:THR199 3.9 4.6 1.0
OE1 A:GLU106 3.9 5.0 1.0
CG A:HIS94 4.1 5.4 1.0
NE2 A:HIS119 4.1 3.4 1.0
ND1 A:HIS94 4.2 3.8 1.0
CG A:HIS96 4.2 7.5 1.0
ND1 A:HIS96 4.2 5.7 1.0
CD2 A:HIS119 4.2 5.1 1.0
O2 A:CTF264 4.3 14.9 1.0
C3 A:GOL263 4.4 9.8 1.0
C1 A:CTF264 4.8 17.7 1.0
CD A:GLU106 4.9 5.8 1.0
CH2 A:TRP209 4.9 4.4 1.0

Reference:

M.P.Leese, F.L.Jourdan, K.Gaukroger, M.F.Mahon, S.P.Newman, P.A.Foster, C.Stengel, S.Regis-Lydi, E.Ferrandis, A.Di Fiore, G.De Simone, C.T.Supuran, A.Purohit, M.J.Reed, B.V.Potter. Structure-Activity Relationships of C-17 Cyano-Substituted Estratrienes As Anticancer Agents J.Med.Chem. V. 51 1295 2008.
ISSN: ISSN 0022-2623
PubMed: 18260615
DOI: 10.1021/JM701319C
Page generated: Thu Oct 24 11:29:18 2024

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