Chlorine in PDB 5ny3: Carbonic Anhydrase II Inhibitor RA11

Enzymatic activity of Carbonic Anhydrase II Inhibitor RA11

All present enzymatic activity of Carbonic Anhydrase II Inhibitor RA11:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II Inhibitor RA11, PDB code: 5ny3 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) 34.92 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.193, 41.355, 72.098, 90.00, 104.40, 90.00
R / Rfree (%) 15.6 / 17.2

Other elements in 5ny3:

The structure of Carbonic Anhydrase II Inhibitor RA11 also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Carbonic Anhydrase II Inhibitor RA11 (pdb code 5ny3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Carbonic Anhydrase II Inhibitor RA11, PDB code: 5ny3:

Chlorine binding site 1 out of 1 in 5ny3

Go back to Chlorine Binding Sites List in 5ny3
Chlorine binding site 1 out of 1 in the Carbonic Anhydrase II Inhibitor RA11


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Carbonic Anhydrase II Inhibitor RA11 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:93.1
occ:1.00
CL1 A:9E8302 0.0 93.1 1.0
C13 A:9E8302 1.7 85.5 1.0
C15 A:9E8302 2.7 78.5 1.0
C10 A:9E8302 2.7 79.7 1.0
O A:HOH465 3.5 28.3 1.0
O A:HOH708 3.6 43.8 1.0
C14 A:9E8302 4.0 74.5 1.0
C11 A:9E8302 4.0 74.9 1.0
C12 A:9E8302 4.5 73.5 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: Sat Dec 12 12:10:57 2020

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