Atomistry » Zinc » PDB 4pns-4q08 » 4q06
Atomistry »
  Zinc »
    PDB 4pns-4q08 »
      4q06 »

Zinc in PDB 4q06: Crystal Structure of Chimeric Carbonic Anhydrase IX with Inhibitor

Enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase IX with Inhibitor

All present enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase IX with Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Chimeric Carbonic Anhydrase IX with Inhibitor, PDB code: 4q06 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) 40.74 / 1.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.015, 41.343, 72.194, 90.00, 104.14, 90.00
R / Rfree (%) 13.7 / 16.8

Other elements in 4q06:

The structure of Crystal Structure of Chimeric Carbonic Anhydrase IX 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 Chimeric Carbonic Anhydrase IX with Inhibitor (pdb code 4q06). 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 Chimeric Carbonic Anhydrase IX with Inhibitor, PDB code: 4q06:

Zinc binding site 1 out of 1 in 4q06

Go back to Zinc Binding Sites List in 4q06
Zinc binding site 1 out of 1 in the Crystal Structure of Chimeric Carbonic Anhydrase IX 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 Chimeric Carbonic Anhydrase IX with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:7.7
occ:1.00
N11 A:V90304 1.9 16.5 1.0
NE2 A:HIS94 2.0 8.5 1.0
NE2 A:HIS96 2.0 7.5 1.0
ND1 A:HIS119 2.1 7.9 1.0
CE1 A:HIS119 2.9 7.5 1.0
CD2 A:HIS94 3.0 8.4 1.0
CE1 A:HIS94 3.0 8.8 1.0
F16 A:V90304 3.0 25.3 1.0
CD2 A:HIS96 3.0 7.7 1.0
CE1 A:HIS96 3.1 8.2 1.0
S8 A:V90304 3.1 19.6 1.0
CG A:HIS119 3.1 7.2 1.0
C3 A:V90304 3.5 21.4 1.0
C2 A:V90304 3.5 18.2 1.0
CB A:HIS119 3.6 7.5 1.0
O10 A:V90304 3.6 22.4 1.0
OG1 A:THR198 3.8 7.6 1.0
OE1 A:GLU106 4.0 8.0 1.0
NE2 A:HIS119 4.1 7.7 1.0
ND1 A:HIS94 4.1 9.5 1.0
CG A:HIS94 4.1 8.8 1.0
ND1 A:HIS96 4.1 8.0 1.0
CG A:HIS96 4.2 7.6 1.0
CD2 A:HIS119 4.2 8.5 1.0
C1 A:V90304 4.2 26.1 1.0
O9 A:V90304 4.3 16.5 1.0
C4 A:V90304 4.4 19.2 1.0
F17 A:V90304 4.8 26.0 1.0
CD A:GLU106 4.8 7.1 1.0
CA A:HIS119 5.0 7.3 1.0

Reference:

V.Dudutiene, J.Matuliene, A.Smirnov, D.D.Timm, A.Zubriene, L.Baranauskiene, V.Morkunaite, J.Smirnoviene, V.Michailoviene, V.Juozapaitiene, A.Mickeviciute, J.Kazokaite, S.Baksyte, A.Kasiliauskaite, J.Jachno, J.Revuckiene, M.Kisonaite, V.Pilipuityte, E.Ivanauskaite, G.Milinaviciute, V.Smirnovas, V.Petrikaite, V.Kairys, V.Petrauskas, P.Norvaisas, D.Linge, P.Gibieza, E.Capkauskaite, A.Zaksauskas, E.Kazlauskas, E.Manakova, S.Grazulis, J.E.Ladbury, D.Matulis. Discovery and Characterization of Novel Selective Inhibitors of Carbonic Anhydrase IX. J.Med.Chem. V. 57 9435 2014.
ISSN: ISSN 0022-2623
PubMed: 25358084
DOI: 10.1021/JM501003K
Page generated: Wed Dec 16 05:42:18 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy