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Zinc in PDB 5sz1: Carbonic Anhydrase II in Complex with 4-(2-Methylphenyl)- Benzenesulfonamide

Enzymatic activity of Carbonic Anhydrase II in Complex with 4-(2-Methylphenyl)- Benzenesulfonamide

All present enzymatic activity of Carbonic Anhydrase II in Complex with 4-(2-Methylphenyl)- Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II in Complex with 4-(2-Methylphenyl)- Benzenesulfonamide, PDB code: 5sz1 was solved by A.Bhatt, B.P.Mahon, B.Cornelio, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.92 / 1.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.215, 41.284, 71.873, 90.00, 104.20, 90.00
R / Rfree (%) 15.7 / 18.5

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase II in Complex with 4-(2-Methylphenyl)- Benzenesulfonamide (pdb code 5sz1). 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 in Complex with 4-(2-Methylphenyl)- Benzenesulfonamide, PDB code: 5sz1:

Zinc binding site 1 out of 1 in 5sz1

Go back to Zinc Binding Sites List in 5sz1
Zinc binding site 1 out of 1 in the Carbonic Anhydrase II in Complex with 4-(2-Methylphenyl)- Benzenesulfonamide


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 in Complex with 4-(2-Methylphenyl)- Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:12.1
occ:1.00
NAP A:72E307 1.9 8.4 1.0
NE2 A:HIS96 2.0 10.4 1.0
NE2 A:HIS94 2.0 10.1 1.0
ND1 A:HIS119 2.1 10.0 1.0
CD2 A:HIS94 3.0 11.6 1.0
CE1 A:HIS119 3.0 9.6 1.0
CD2 A:HIS96 3.0 10.0 1.0
CE1 A:HIS96 3.0 13.0 1.0
CE1 A:HIS94 3.0 11.0 1.0
SAM A:72E307 3.0 16.5 1.0
OAO A:72E307 3.1 15.3 1.0
CG A:HIS119 3.2 8.3 1.0
CB A:HIS119 3.6 7.5 1.0
OG1 A:THR199 3.8 11.7 1.0
OE1 A:GLU106 4.0 9.4 1.0
ND1 A:HIS96 4.1 9.6 1.0
CG A:HIS94 4.1 10.3 1.0
ND1 A:HIS94 4.1 9.9 1.0
NE2 A:HIS119 4.1 10.9 1.0
CG A:HIS96 4.1 10.0 1.0
OAN A:72E307 4.2 14.2 1.0
CD2 A:HIS119 4.3 9.1 1.0
C3 A:GOL302 4.3 19.4 1.0
CAJ A:72E307 4.3 15.4 1.0
C2 A:GOL302 4.9 25.6 1.0
CD A:GLU106 4.9 12.1 1.0

Reference:

A.Bhatt, B.P.Mahon, V.W.Cruzeiro, B.Cornelio, M.Laronze-Cochard, M.Ceruso, J.Sapi, G.A.Rance, A.N.Khlobystov, A.Fontana, A.Roitberg, C.T.Supuran, R.Mckenna. Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors Towards Carbonic Anhydrase Isoform Specificity. Chembiochem V. 18 213 2017.
ISSN: ESSN 1439-7633
PubMed: 27860128
DOI: 10.1002/CBIC.201600513
Page generated: Mon Oct 28 08:09:18 2024

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