Zinc in PDB 6ufb: Carbonic Anhydrase 2 with Inhibitor (2Z)-2-Benzylidene-3-Oxo-N-(4- Sulfamoylphenyl)Butanamide (11A/D1)

Enzymatic activity of Carbonic Anhydrase 2 with Inhibitor (2Z)-2-Benzylidene-3-Oxo-N-(4- Sulfamoylphenyl)Butanamide (11A/D1)

All present enzymatic activity of Carbonic Anhydrase 2 with Inhibitor (2Z)-2-Benzylidene-3-Oxo-N-(4- Sulfamoylphenyl)Butanamide (11A/D1):
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase 2 with Inhibitor (2Z)-2-Benzylidene-3-Oxo-N-(4- Sulfamoylphenyl)Butanamide (11A/D1), PDB code: 6ufb was solved by T.S.Peat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.04 / 1.67
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.356, 41.485, 72.028, 90.00, 104.53, 90.00
R / Rfree (%) 15.1 / 18.6

Other elements in 6ufb:

The structure of Carbonic Anhydrase 2 with Inhibitor (2Z)-2-Benzylidene-3-Oxo-N-(4- Sulfamoylphenyl)Butanamide (11A/D1) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase 2 with Inhibitor (2Z)-2-Benzylidene-3-Oxo-N-(4- Sulfamoylphenyl)Butanamide (11A/D1) (pdb code 6ufb). 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 2 with Inhibitor (2Z)-2-Benzylidene-3-Oxo-N-(4- Sulfamoylphenyl)Butanamide (11A/D1), PDB code: 6ufb:

Zinc binding site 1 out of 1 in 6ufb

Go back to Zinc Binding Sites List in 6ufb
Zinc binding site 1 out of 1 in the Carbonic Anhydrase 2 with Inhibitor (2Z)-2-Benzylidene-3-Oxo-N-(4- Sulfamoylphenyl)Butanamide (11A/D1)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase 2 with Inhibitor (2Z)-2-Benzylidene-3-Oxo-N-(4- Sulfamoylphenyl)Butanamide (11A/D1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:7.9
occ:1.00
 N23 A:Q64304 1.9 8.6 1.0
NE2 A:HIS96 2.0 7.9 1.0
NE2 A:HIS94 2.0 7.2 1.0
ND1 A:HIS119 2.0 6.8 1.0
CE1 A:HIS119 3.0 7.2 1.0
CD2 A:HIS96 3.0 8.2 1.0
CD2 A:HIS94 3.0 7.0 1.0
O24 A:Q64304 3.0 8.7 1.0
S2 A:Q64304 3.1 9.3 1.0
CE1 A:HIS94 3.1 7.2 1.0
CE1 A:HIS96 3.1 8.7 1.0
CG A:HIS119 3.1 6.9 1.0
CB A:HIS119 3.5 6.9 1.0
OG1 A:THR199 3.9 7.3 1.0
OE1 A:GLU106 3.9 8.4 1.0
NE2 A:HIS119 4.1 6.8 1.0
C3 A:Q64304 4.1 9.4 1.0
O1 A:Q64304 4.1 8.2 1.0
CG A:HIS96 4.1 8.2 1.0
CG A:HIS94 4.1 7.3 1.0
ND1 A:HIS94 4.2 7.2 1.0
ND1 A:HIS96 4.2 8.5 1.0
CD2 A:HIS119 4.2 7.1 1.0
C1 A:GOL302 4.6 14.7 1.0
C4 A:Q64304 4.7 10.0 1.0
CD A:GLU106 4.9 8.6 1.0
C22 A:Q64304 4.9 10.8 1.0
CA A:HIS119 5.0 7.0 1.0

Reference:

M.Fares, W.M.Eldehna, S.Bua, C.Lanzi, L.Lucarini, E.Masini, T.S.Peat, H.A.Abdel-Aziz, A.Nocentini, P.A.Keller, C.T.Supuran. Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action. J.Med.Chem. V. 63 3317 2020.
ISSN: ISSN 0022-2623
PubMed: 32031797
DOI: 10.1021/ACS.JMEDCHEM.9B02090
Page generated: Wed Dec 16 12:58:43 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy