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Zinc in PDB 4ht0: Crystal Structure of Human Carbonic Anhydrase Isozyme II with the Inhibitor.

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with the Inhibitor.

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with the Inhibitor.:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with the Inhibitor., PDB code: 4ht0 was solved by A.Smirnov, E.Manakova, S.Grazulis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.80 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.018, 40.898, 71.604, 90.00, 104.04, 90.00
R / Rfree (%) 16.8 / 21

Other elements in 4ht0:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with the Inhibitor. also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with the Inhibitor. (pdb code 4ht0). 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 Human Carbonic Anhydrase Isozyme II with the Inhibitor., PDB code: 4ht0:

Zinc binding site 1 out of 1 in 4ht0

Go back to Zinc Binding Sites List in 4ht0
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with the Inhibitor.


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 Human Carbonic Anhydrase Isozyme II with the Inhibitor. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:7.5
occ:1.00
 N23 A:V50304 2.0 12.6 1.0
NE2 A:HIS94 2.0 6.1 1.0
ND1 A:HIS119 2.0 6.3 1.0
NE2 A:HIS96 2.0 7.7 1.0
CE1 A:HIS119 2.9 4.0 1.0
O8 A:V50304 2.9 20.4 1.0
CD2 A:HIS94 2.9 7.4 1.0
CD2 A:HIS96 3.0 5.9 1.0
CE1 A:HIS94 3.0 5.8 1.0
CE1 A:HIS96 3.1 9.8 1.0
CG A:HIS119 3.1 5.4 1.0
S7 A:V50304 3.2 27.4 1.0
CB A:HIS119 3.5 4.7 1.0
OG1 A:THR199 3.8 6.8 1.0
O A:HOH665 3.9 13.9 1.0
OE1 A:GLU106 4.0 8.1 1.0
O9 A:V50304 4.0 17.2 1.0
NE2 A:HIS119 4.1 5.7 1.0
CG A:HIS94 4.1 7.0 1.0
ND1 A:HIS94 4.1 8.1 1.0
CG A:HIS96 4.2 7.3 1.0
ND1 A:HIS96 4.2 7.2 1.0
CD2 A:HIS119 4.2 5.8 1.0
C5 A:V50304 4.3 27.2 1.0
O A:HOH573 4.6 20.6 1.0
F11 A:V50304 4.9 35.7 1.0
CD A:GLU106 4.9 9.2 1.0
CA A:HIS119 5.0 6.0 1.0

Reference:

V.Dudutiene, A.Zubriene, A.Smirnov, J.Gylyte, D.Timm, E.Manakova, S.Grazulis, D.Matulis. 4-Substituted-2,3,5,6-Tetrafluorobenzenesulfonamides As Inhibitors of Carbonic Anhydrases I, II, VII, XII, and XIII. Bioorg.Med.Chem. V. 21 2093 2013.
ISSN: ISSN 0968-0896
PubMed: 23394791
DOI: 10.1016/J.BMC.2013.01.008
Page generated: Sun Oct 27 00:16:48 2024

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