Atomistry » Zinc » PDB 4qho-4qq4 » 4qjx
Atomistry »
  Zinc »
    PDB 4qho-4qq4 »
      4qjx »

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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy