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Zinc in PDB 6g6t: Crystal Structure of Human Carbonic Anhydrase Isozyme II with N-Butyl- 2,4-Dichloro-5-Sulfamoyl-Benzamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with N-Butyl- 2,4-Dichloro-5-Sulfamoyl-Benzamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with N-Butyl- 2,4-Dichloro-5-Sulfamoyl-Benzamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with N-Butyl- 2,4-Dichloro-5-Sulfamoyl-Benzamide, PDB code: 6g6t 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) 39.71 / 1.12
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.057, 41.196, 72.094, 90.00, 104.19, 90.00
R / Rfree (%) 14.3 / 17.7

Other elements in 6g6t:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with N-Butyl- 2,4-Dichloro-5-Sulfamoyl-Benzamide also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with N-Butyl- 2,4-Dichloro-5-Sulfamoyl-Benzamide (pdb code 6g6t). 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 Human Carbonic Anhydrase Isozyme II with N-Butyl- 2,4-Dichloro-5-Sulfamoyl-Benzamide, PDB code: 6g6t:

Zinc binding site 1 out of 1 in 6g6t

Go back to Zinc Binding Sites List in 6g6t
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with N-Butyl- 2,4-Dichloro-5-Sulfamoyl-Benzamide


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 Human Carbonic Anhydrase Isozyme II with N-Butyl- 2,4-Dichloro-5-Sulfamoyl-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:6.1
occ:1.00
 N8 A:ENN304 1.9 6.2 1.0
NE2 A:HIS94 2.0 6.7 1.0
ND1 A:HIS119 2.0 5.5 1.0
NE2 A:HIS96 2.0 6.8 1.0
CE1 A:HIS119 2.9 6.0 1.0
CD2 A:HIS94 3.0 7.0 1.0
CD2 A:HIS96 3.0 6.3 1.0
O10 A:ENN304 3.0 6.3 1.0
S7 A:ENN304 3.0 6.3 1.0
CE1 A:HIS94 3.0 6.9 1.0
CE1 A:HIS96 3.1 7.8 1.0
CG A:HIS119 3.1 5.3 1.0
CB A:HIS119 3.5 6.2 1.0
OG1 A:THR199 3.9 6.7 1.0
OE1 A:GLU106 4.0 6.8 1.0
C6 A:ENN304 4.1 7.4 1.0
NE2 A:HIS119 4.1 6.1 1.0
C5 A:ENN304 4.1 7.9 1.0
O9 A:ENN304 4.1 6.5 1.0
ND1 A:HIS96 4.2 7.8 1.0
CG A:HIS94 4.2 7.5 1.0
ND1 A:HIS94 4.2 7.5 1.0
CG A:HIS96 4.2 6.5 1.0
CD2 A:HIS119 4.2 6.2 1.0
O A:HOH646 4.3 15.2 1.0
CD A:GLU106 4.9 6.8 1.0

Reference:

A.Zaksauskas, E.Capkauskaite, L.Jezepcikas, V.Linkuviene, M.Kisonaite, A.Smirnov, E.Manakova, S.Grazulis, D.Matulis. Design of Two-Tail Compounds with Rotationally Fixed Benzenesulfonamide Ring As Inhibitors of Carbonic Anhydrases. Eur J Med Chem V. 156 61 2018.
ISSN: ISSN 1768-3254
PubMed: 30006175
DOI: 10.1016/J.EJMECH.2018.06.059
Page generated: Mon Oct 28 21:39:52 2024

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