Atomistry » Zinc » PDB 4pog-4q1l » 4q07
Atomistry »
  Zinc »
    PDB 4pog-4q1l »
      4q07 »

Zinc in PDB 4q07: 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: 4q07 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) 69.86 / 1.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.931, 41.214, 72.066, 90.00, 104.21, 90.00
R / Rfree (%) 12.8 / 15.8

Other elements in 4q07:

The structure of Crystal Structure of Chimeric Carbonic Anhydrase IX with Inhibitor also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Chimeric Carbonic Anhydrase IX with Inhibitor (pdb code 4q07). 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: 4q07:

Zinc binding site 1 out of 1 in 4q07

Go back to Zinc Binding Sites List in 4q07
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:6.2
occ:1.00
N10 A:V14303 1.9 7.6 0.5
N10 A:V14303 1.9 7.4 0.5
NE2 A:HIS94 2.0 6.4 1.0
ND1 A:HIS119 2.0 6.0 1.0
NE2 A:HIS96 2.0 6.8 1.0
F12 A:V14303 2.8 11.4 0.5
F12 A:V14303 2.8 9.2 0.5
CE1 A:HIS119 3.0 6.2 1.0
CD2 A:HIS94 3.0 7.1 1.0
CD2 A:HIS96 3.0 7.3 1.0
S7 A:V14303 3.0 7.4 0.5
S7 A:V14303 3.0 7.1 0.5
CE1 A:HIS94 3.1 7.0 1.0
CE1 A:HIS96 3.1 7.0 1.0
CG A:HIS119 3.1 6.0 1.0
O9 A:V14303 3.3 8.1 0.5
O9 A:V14303 3.3 7.9 0.5
C3 A:V14303 3.4 10.3 0.5
C3 A:V14303 3.4 7.9 0.5
C4 A:V14303 3.5 10.9 0.5
CB A:HIS119 3.5 6.7 1.0
C4 A:V14303 3.6 7.6 0.5
OE1 A:GLU106 3.8 6.5 1.0
OG1 A:THR198 3.9 6.3 1.0
NE2 A:HIS119 4.1 6.5 1.0
ND1 A:HIS96 4.2 6.9 1.0
CG A:HIS96 4.2 6.5 1.0
CG A:HIS94 4.2 7.4 1.0
ND1 A:HIS94 4.2 7.1 1.0
CD2 A:HIS119 4.2 6.4 1.0
O8 A:V14303 4.3 8.4 0.5
O8 A:V14303 4.3 8.6 0.5
C2 A:V14303 4.4 10.8 0.5
C2 A:V14303 4.4 11.4 0.5
C5 A:V14303 4.7 12.0 0.5
C5 A:V14303 4.7 8.5 0.5
CD A:GLU106 4.7 6.1 1.0
F13 A:V14303 4.7 11.0 0.5
F13 A:V14303 4.8 16.5 0.5
CH2 A:TRP208 4.9 7.7 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: Sun Oct 27 06:13:04 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy