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Zinc in PDB 5nxg: Carbonic Anhydrase II Inhibitor RA1

Enzymatic activity of Carbonic Anhydrase II Inhibitor RA1

All present enzymatic activity of Carbonic Anhydrase II Inhibitor RA1:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II Inhibitor RA1, PDB code: 5nxg was solved by J.Brynda, P.Rezacova, M.Horejsi, J.Fanfrlik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.56 / 1.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.919, 41.012, 71.144, 90.00, 104.64, 90.00
R / Rfree (%) 14.1 / 16.8

Other elements in 5nxg:

The structure of Carbonic Anhydrase II Inhibitor RA1 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase II Inhibitor RA1 (pdb code 5nxg). 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 Carbonic Anhydrase II Inhibitor RA1, PDB code: 5nxg:

Zinc binding site 1 out of 1 in 5nxg

Go back to Zinc Binding Sites List in 5nxg
Zinc binding site 1 out of 1 in the Carbonic Anhydrase II Inhibitor RA1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase II Inhibitor RA1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:8.6
occ:1.00
N A:RA1302 2.0 9.3 1.0
NE2 A:HIS94 2.0 9.6 1.0
ND1 A:HIS119 2.1 8.0 1.0
NE2 A:HIS96 2.1 9.0 1.0
CE1 A:HIS119 3.0 8.1 1.0
CD2 A:HIS94 3.0 9.3 1.0
O1 A:RA1302 3.0 9.1 1.0
CD2 A:HIS96 3.0 9.6 1.0
S A:RA1302 3.0 8.9 1.0
CE1 A:HIS94 3.1 9.7 1.0
CE1 A:HIS96 3.1 9.9 1.0
CG A:HIS119 3.1 7.5 1.0
CB A:HIS119 3.6 8.2 1.0
O A:HOH607 3.7 24.6 1.0
OG1 A:THR199 3.9 9.0 1.0
OE1 A:GLU106 4.0 9.3 1.0
O A:RA1302 4.1 8.8 1.0
NE2 A:HIS119 4.1 8.0 1.0
C A:RA1302 4.1 9.8 1.0
ND1 A:HIS94 4.1 9.9 1.0
CG A:HIS94 4.2 10.5 1.0
ND1 A:HIS96 4.2 10.5 1.0
CG A:HIS96 4.2 8.8 1.0
CD2 A:HIS119 4.2 8.3 1.0
C12 A:RA1302 4.8 10.6 1.0
C1 A:RA1302 4.9 10.7 1.0
CD A:GLU106 4.9 8.8 1.0

Reference:

A.Pecina, J.Brynda, L.Vrzal, R.Gnanasekaran, M.Horejsi, S.M.Eyrilmez, J.Rezac, M.Lepsik, P.Rezacova, P.Hobza, P.Majer, V.Veverka, J.Fanfrlik. Ranking Power of the Sqm/Cosmo Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem V. 19 873 2018.
ISSN: ISSN 1439-7641
PubMed: 29316128
DOI: 10.1002/CPHC.201701104
Page generated: Wed Dec 16 06:36:46 2020

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