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Zinc in PDB 4qjx: Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with Inhibitor

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with Inhibitor

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

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with Inhibitor, PDB code: 4qjx 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) 53.53 / 1.95
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 56.822, 56.822, 159.608, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 23.7

Other elements in 4qjx:

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

Fluorine (F) 3 atoms

Zinc Binding Sites:

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

Zinc binding site 1 out of 1 in 4qjx

Go back to Zinc Binding Sites List in 4qjx
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 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 XIII with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:12.9
occ:1.00
 N10 A:WWO304 1.7 17.9 1.0
NE2 A:HIS98 2.0 11.0 1.0
NE2 A:HIS96 2.0 11.4 1.0
ND1 A:HIS121 2.1 12.0 1.0
F12 A:WWO304 2.9 25.5 1.0
CD2 A:HIS98 2.9 10.1 1.0
CD2 A:HIS96 2.9 12.5 1.0
S7 A:WWO304 3.0 23.3 1.0
CE1 A:HIS121 3.0 12.0 1.0
CE1 A:HIS98 3.0 10.6 1.0
CG A:HIS121 3.1 12.8 1.0
CE1 A:HIS96 3.1 13.5 1.0
O9 A:WWO304 3.2 23.1 1.0
CB A:HIS121 3.5 13.5 1.0
C3 A:WWO304 3.7 24.4 1.0
C4 A:WWO304 3.8 22.5 1.0
OG1 A:THR201 3.9 10.4 1.0
OE1 A:GLU108 4.0 14.9 1.0
CG A:HIS98 4.1 10.2 1.0
CG A:HIS96 4.1 12.9 1.0
NE2 A:HIS121 4.1 12.4 1.0
ND1 A:HIS98 4.2 10.7 1.0
O8 A:WWO304 4.2 23.2 1.0
ND1 A:HIS96 4.2 12.1 1.0
CD2 A:HIS121 4.2 12.0 1.0
C2 A:WWO304 4.9 26.3 1.0
CD A:GLU108 4.9 13.1 1.0
CA A:HIS121 5.0 13.3 1.0

Reference:

V.Dudutiene, A.Zubriene, A.Smirnov, D.D.Timm, J.Smirnoviene, J.Kazokaite, V.Michailoviene, A.Zaksauskas, E.Manakova, S.Grazulis, D.Matulis. Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties Toward Carbonic Anhydrases Chemmedchem V. 10 662 2015.
ISSN: ISSN 1860-7179
PubMed: 25758852
DOI: 10.1002/CMDC.201402490
Page generated: Sun Oct 27 06:37:19 2024

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