Atomistry » Zinc » PDB 6rpn-6rwn » 6rvk
Atomistry »
  Zinc »
    PDB 6rpn-6rwn »
      6rvk »

Zinc in PDB 6rvk: Crystal Structure of Hca II in Complex with Urea, N-(1,3-Dihydro-1- Hydroxy-2,1-Benzoxaborol-6-Yl)-N'-(Phenylmethyl)-

Enzymatic activity of Crystal Structure of Hca II in Complex with Urea, N-(1,3-Dihydro-1- Hydroxy-2,1-Benzoxaborol-6-Yl)-N'-(Phenylmethyl)-

All present enzymatic activity of Crystal Structure of Hca II in Complex with Urea, N-(1,3-Dihydro-1- Hydroxy-2,1-Benzoxaborol-6-Yl)-N'-(Phenylmethyl)-:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Hca II in Complex with Urea, N-(1,3-Dihydro-1- Hydroxy-2,1-Benzoxaborol-6-Yl)-N'-(Phenylmethyl)-, PDB code: 6rvk was solved by A.Di Fiore, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.58
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.350, 41.360, 72.170, 90.00, 104.23, 90.00
R / Rfree (%) 16.9 / 19.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Hca II in Complex with Urea, N-(1,3-Dihydro-1- Hydroxy-2,1-Benzoxaborol-6-Yl)-N'-(Phenylmethyl)- (pdb code 6rvk). 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 Hca II in Complex with Urea, N-(1,3-Dihydro-1- Hydroxy-2,1-Benzoxaborol-6-Yl)-N'-(Phenylmethyl)-, PDB code: 6rvk:

Zinc binding site 1 out of 1 in 6rvk

Go back to Zinc Binding Sites List in 6rvk
Zinc binding site 1 out of 1 in the Crystal Structure of Hca II in Complex with Urea, N-(1,3-Dihydro-1- Hydroxy-2,1-Benzoxaborol-6-Yl)-N'-(Phenylmethyl)-


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 Hca II in Complex with Urea, N-(1,3-Dihydro-1- Hydroxy-2,1-Benzoxaborol-6-Yl)-N'-(Phenylmethyl)- within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:8.2
occ:1.00
 NE2 A:HIS94 2.0 6.2 1.0
NE2 A:HIS96 2.0 6.6 1.0
ND1 A:HIS119 2.0 7.6 1.0
O2 A:R29302 2.1 10.8 1.0
O1 A:R29302 2.9 14.2 1.0
CE1 A:HIS119 2.9 4.5 1.0
CD2 A:HIS94 3.0 8.0 1.0
CE1 A:HIS94 3.0 6.4 1.0
CE1 A:HIS96 3.0 6.7 1.0
CD2 A:HIS96 3.0 6.4 1.0
B1 A:R29302 3.0 16.8 1.0
CG A:HIS119 3.1 5.4 1.0
CB A:HIS119 3.6 6.0 1.0
O A:HOH452 3.7 16.7 1.0
O3 A:R29302 3.9 12.7 1.0
OG1 A:THR199 3.9 7.3 1.0
OE1 A:GLU106 4.1 8.4 1.0
NE2 A:HIS119 4.1 5.9 1.0
ND1 A:HIS94 4.1 7.0 1.0
CG A:HIS94 4.1 7.1 1.0
ND1 A:HIS96 4.2 6.4 1.0
CG A:HIS96 4.2 7.2 1.0
CD2 A:HIS119 4.2 6.0 1.0
C1 A:R29302 4.2 20.1 1.0
C7 A:R29302 4.3 18.9 1.0
O A:HOH563 4.4 18.9 1.0
C6 A:R29302 4.8 17.9 1.0
CD A:GLU106 5.0 8.1 1.0

Reference:

E.Langella, V.Alterio, K.D'ambrosio, R.Cadoni, J.Y.Winum, C.T.Supuran, S.M.Monti, G.De Simone, A.Di Fiore. Exploring Benzoxaborole Derivatives As Carbonic Anhydrase Inhibitors: A Structural and Computational Analysis Reveals Their Conformational Variability As A Tool to Increase Enzyme Selectivity. J Enzyme Inhib Med Chem V. 34 1498 2019.
ISSN: ESSN 1475-6374
PubMed: 31423863
DOI: 10.1080/14756366.2019.1653291
Page generated: Tue Oct 29 06:47:53 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy