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Zinc in PDB 2qp6: The Crystal Structure of the Complex of Hcaii with A Bioreductive Antitumor Derivative

Enzymatic activity of The Crystal Structure of the Complex of Hcaii with A Bioreductive Antitumor Derivative

All present enzymatic activity of The Crystal Structure of the Complex of Hcaii with A Bioreductive Antitumor Derivative:
4.2.1.1;

Protein crystallography data

The structure of The Crystal Structure of the Complex of Hcaii with A Bioreductive Antitumor Derivative, PDB code: 2qp6 was solved by K.D'ambrosio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.069, 41.238, 71.829, 90.00, 104.20, 90.00
R / Rfree (%) 19.2 / 20.7

Other elements in 2qp6:

The structure of The Crystal Structure of the Complex of Hcaii with A Bioreductive Antitumor Derivative also contains other interesting chemical elements:

Mercury (Hg) 2 atoms
Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the The Crystal Structure of the Complex of Hcaii with A Bioreductive Antitumor Derivative (pdb code 2qp6). 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 The Crystal Structure of the Complex of Hcaii with A Bioreductive Antitumor Derivative, PDB code: 2qp6:

Zinc binding site 1 out of 1 in 2qp6

Go back to Zinc Binding Sites List in 2qp6
Zinc binding site 1 out of 1 in the The Crystal Structure of the Complex of Hcaii with A Bioreductive Antitumor Derivative


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of the Complex of Hcaii with A Bioreductive Antitumor Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:7.0
occ:1.00
N1 A:MB1800 2.0 6.5 1.0
NE2 A:HIS96 2.0 6.4 1.0
NE2 A:HIS94 2.0 4.5 1.0
ND1 A:HIS119 2.1 5.5 1.0
O1 A:MB1800 2.9 5.8 1.0
CD2 A:HIS96 2.9 6.3 1.0
CE1 A:HIS119 3.0 4.1 1.0
CE1 A:HIS94 3.0 5.0 1.0
S1 A:MB1800 3.0 6.4 1.0
CD2 A:HIS94 3.0 5.4 1.0
CE1 A:HIS96 3.1 5.7 1.0
CG A:HIS119 3.2 5.3 1.0
CB A:HIS119 3.6 5.1 1.0
OG1 A:THR199 3.8 6.1 1.0
C3 A:MB1800 4.0 9.1 1.0
OE1 A:GLU106 4.0 5.2 1.0
C4 A:MB1800 4.0 8.2 1.0
O A:HOH582 4.1 17.6 1.0
ND1 A:HIS94 4.1 6.4 1.0
NE2 A:HIS119 4.1 4.5 1.0
CG A:HIS96 4.1 5.1 1.0
ND1 A:HIS96 4.1 6.0 1.0
CG A:HIS94 4.2 6.1 1.0
O2 A:MB1800 4.2 6.5 1.0
CD2 A:HIS119 4.2 5.5 1.0
CD A:GLU106 4.9 6.9 1.0

Reference:

K.D'ambrosio, R.M.Vitale, J.M.Dogne, B.Masereel, A.Innocenti, A.Scozzafava, G.De Simone, C.T.Supuran. Carbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides with Selectivity For Targeting the Tumor Associated Isoforms IX and XII. J.Med.Chem. V. 51 3230 2008.
ISSN: ISSN 0022-2623
PubMed: 18481843
DOI: 10.1021/JM800121C
Page generated: Wed Dec 16 03:50:47 2020

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