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Zinc in PDB 6sfq: Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione

Enzymatic activity of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione

All present enzymatic activity of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione:
4.2.1.1;

Protein crystallography data

The structure of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione, PDB code: 6sfq was solved by S.Gloeckner, K.Ngo, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.06 / 1.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.410, 41.608, 72.135, 90.00, 104.48, 90.00
R / Rfree (%) 12.6 / 14.7

Other elements in 6sfq:

The structure of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione also contains other interesting chemical elements:

Mercury (Hg) 3 atoms
Sodium (Na) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione (pdb code 6sfq). 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 Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione, PDB code: 6sfq:

Zinc binding site 1 out of 1 in 6sfq

Go back to Zinc Binding Sites List in 6sfq
Zinc binding site 1 out of 1 in the Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:6.8
occ:1.00
 N10 A:7Q1304 2.0 7.5 1.0
ND1 A:HIS119 2.0 7.0 1.0
NE2 A:HIS96 2.0 7.3 1.0
NE2 A:HIS94 2.0 7.1 1.0
CE1 A:HIS119 2.9 6.8 1.0
C08 A:7Q1304 2.9 8.6 1.0
CD2 A:HIS96 3.0 6.7 1.0
C11 A:7Q1304 3.0 8.6 1.0
CD2 A:HIS94 3.0 7.1 1.0
HE1 A:HIS119 3.0 8.2 1.0
CE1 A:HIS94 3.0 7.3 1.0
CE1 A:HIS96 3.0 7.5 1.0
CG A:HIS119 3.1 6.2 1.0
HD2 A:HIS96 3.1 8.0 1.0
HB2 A:HIS119 3.2 7.8 1.0
HD2 A:HIS94 3.2 8.5 1.0
O09 A:7Q1304 3.2 9.9 1.0
HE1 A:HIS94 3.2 8.8 1.0
HE1 A:HIS96 3.3 8.9 1.0
O12 A:7Q1304 3.4 10.7 1.0
HG1 A:THR199 3.5 9.2 1.0
CB A:HIS119 3.6 6.5 1.0
HB3 A:HIS119 3.7 7.8 1.0
OG1 A:THR199 3.9 7.7 1.0
OE1 A:GLU106 4.0 7.7 1.0
NE2 A:HIS119 4.1 6.8 1.0
ND1 A:HIS96 4.1 7.9 1.0
CG A:HIS96 4.1 7.1 1.0
ND1 A:HIS94 4.1 7.2 1.0
O13 A:7Q1304 4.2 9.7 1.0
CG A:HIS94 4.2 6.9 1.0
CD2 A:HIS119 4.2 6.8 1.0
C07 A:7Q1304 4.2 9.3 1.0
HH2 A:TRP209 4.4 9.4 1.0
O A:HOH460 4.8 14.7 1.0
HE2 A:HIS119 4.8 8.2 1.0
HG23 A:THR200 4.9 12.0 1.0
HD1 A:HIS96 4.9 9.4 1.0
HD1 A:HIS94 4.9 8.7 1.0
CD A:GLU106 4.9 7.5 1.0

Reference:

S.Gloeckner, K.Ngo, A.Heine, G.Klebe. Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione To Be Published.
Page generated: Tue Oct 29 07:20:49 2024

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