Atomistry » Sodium » PDB 6u6u-6v04 » 6ufc
Atomistry »
  Sodium »
    PDB 6u6u-6v04 »
      6ufc »

Sodium 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:

Zinc (Zn) 1 atom

Sodium Binding Sites:

The binding sites of Sodium 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 Sodium atom.
In total only one binding site of Sodium 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:

Sodium binding site 1 out of 1 in 6ufc

Go back to Sodium Binding Sites List in 6ufc
Sodium 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 Sodium with other atoms in the Na 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:Na304

b:46.9
occ:1.00
 O A:HOH609 2.4 23.8 1.0
O A:HOH514 3.1 23.2 1.0
O A:GLY129 3.4 13.8 1.0
NH1 A:ARG89 3.5 23.6 1.0
CH2 A:TRP123 3.9 14.2 1.0
O A:ASP72 4.0 18.6 1.0
CZ2 A:TRP123 4.2 13.0 1.0
O A:SER73 4.5 24.3 1.0
CA A:SER73 4.6 18.4 1.0
C A:GLY129 4.6 11.8 1.0
CZ A:ARG89 4.7 21.6 1.0
C A:SER73 4.8 21.5 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 8 14:09:57 2024

Last articles

Ca in 2SAS
Ca in 2SBA
Ca in 2ROA
Ca in 2ROB
Ca in 2RJP
Ca in 2RO9
Ca in 2RO8
Ca in 2RLD
Ca in 2RNT
Ca in 2RJQ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy