Atomistry » Zinc » PDB 6uco-6uo7 » 6ufc
Atomistry »
  Zinc »
    PDB 6uco-6uo7 »
      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: Tue Oct 29 08:34:53 2024

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy