Atomistry » Zinc » PDB 6ue3-6uoc » 6ufc
Atomistry »
  Zinc »
    PDB 6ue3-6uoc »
      6ufc »

Zinc in PDB 6ufc: Carbonic Anhydrase 2 with Inhibitor (2Z)-2-[(4-Methoxyphenyl) Methylidene]-3-Oxo-N-(4-Sulfamoylphenyl)Butanamide (11D/D4)

Enzymatic activity of Carbonic Anhydrase 2 with Inhibitor (2Z)-2-[(4-Methoxyphenyl) Methylidene]-3-Oxo-N-(4-Sulfamoylphenyl)Butanamide (11D/D4)

All present enzymatic activity of Carbonic Anhydrase 2 with Inhibitor (2Z)-2-[(4-Methoxyphenyl) Methylidene]-3-Oxo-N-(4-Sulfamoylphenyl)Butanamide (11D/D4):
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase 2 with Inhibitor (2Z)-2-[(4-Methoxyphenyl) Methylidene]-3-Oxo-N-(4-Sulfamoylphenyl)Butanamide (11D/D4), PDB code: 6ufc 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) 40.27 / 1.33
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.561, 41.518, 72.412, 90.00, 104.72, 90.00
R / Rfree (%) 11.7 / 14.4

Other elements in 6ufc:

The structure of Carbonic Anhydrase 2 with Inhibitor (2Z)-2-[(4-Methoxyphenyl) Methylidene]-3-Oxo-N-(4-Sulfamoylphenyl)Butanamide (11D/D4) also contains other interesting chemical elements:

Sodium (Na) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase 2 with Inhibitor (2Z)-2-[(4-Methoxyphenyl) Methylidene]-3-Oxo-N-(4-Sulfamoylphenyl)Butanamide (11D/D4) (pdb code 6ufc). 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-[(4-Methoxyphenyl) Methylidene]-3-Oxo-N-(4-Sulfamoylphenyl)Butanamide (11D/D4), PDB code: 6ufc:

Zinc binding site 1 out of 1 in 6ufc

Go back to Zinc Binding Sites List in 6ufc
Zinc binding site 1 out of 1 in the Carbonic Anhydrase 2 with Inhibitor (2Z)-2-[(4-Methoxyphenyl) Methylidene]-3-Oxo-N-(4-Sulfamoylphenyl)Butanamide (11D/D4)


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-[(4-Methoxyphenyl) Methylidene]-3-Oxo-N-(4-Sulfamoylphenyl)Butanamide (11D/D4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:7.0
occ:1.00
N25 A:Q6A302 1.9 7.5 1.0
ND1 A:HIS119 2.0 6.8 1.0
NE2 A:HIS94 2.0 6.9 1.0
NE2 A:HIS96 2.0 6.7 1.0
CE1 A:HIS119 2.9 6.8 1.0
CD2 A:HIS94 3.0 6.4 1.0
CD2 A:HIS96 3.0 7.5 1.0
O26 A:Q6A302 3.0 8.0 1.0
S2 A:Q6A302 3.0 7.9 1.0
CE1 A:HIS96 3.1 7.9 1.0
CE1 A:HIS94 3.1 7.2 1.0
CG A:HIS119 3.1 6.2 1.0
CB A:HIS119 3.6 6.5 1.0
OE1 A:GLU106 3.9 9.7 1.0
OG1 A:THR199 3.9 7.7 1.0
C3 A:Q6A302 4.1 8.6 1.0
NE2 A:HIS119 4.1 7.5 1.0
O1 A:Q6A302 4.2 8.0 1.0
ND1 A:HIS94 4.2 7.1 1.0
CG A:HIS94 4.2 6.6 1.0
ND1 A:HIS96 4.2 8.9 1.0
CG A:HIS96 4.2 7.3 1.0
CD2 A:HIS119 4.2 6.8 1.0
C1 A:GOL303 4.6 19.6 1.0
C4 A:Q6A302 4.7 10.0 1.0
CD A:GLU106 4.9 9.6 1.0
C24 A:Q6A302 4.9 10.1 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: Thu Aug 21 20:19:14 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy