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Sodium in PDB 4q7w: Crystal Structure of 1-Hydroxy-6-Methylpyridine-2(1H)-Thione Bound to Human Carbonic Anhydrase II

Enzymatic activity of Crystal Structure of 1-Hydroxy-6-Methylpyridine-2(1H)-Thione Bound to Human Carbonic Anhydrase II

All present enzymatic activity of Crystal Structure of 1-Hydroxy-6-Methylpyridine-2(1H)-Thione Bound to Human Carbonic Anhydrase II:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of 1-Hydroxy-6-Methylpyridine-2(1H)-Thione Bound to Human Carbonic Anhydrase II, PDB code: 4q7w was solved by D.P.Martin, S.M.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.60 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.189, 41.418, 72.173, 90.00, 104.50, 90.00
R / Rfree (%) 17.9 / 21.1

Other elements in 4q7w:

The structure of Crystal Structure of 1-Hydroxy-6-Methylpyridine-2(1H)-Thione Bound to Human Carbonic Anhydrase II also contains other interesting chemical elements:

Mercury (Hg) 1 atom
Zinc (Zn) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of 1-Hydroxy-6-Methylpyridine-2(1H)-Thione Bound to Human Carbonic Anhydrase II (pdb code 4q7w). 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 Crystal Structure of 1-Hydroxy-6-Methylpyridine-2(1H)-Thione Bound to Human Carbonic Anhydrase II, PDB code: 4q7w:

Sodium binding site 1 out of 1 in 4q7w

Go back to Sodium Binding Sites List in 4q7w
Sodium binding site 1 out of 1 in the Crystal Structure of 1-Hydroxy-6-Methylpyridine-2(1H)-Thione Bound to Human Carbonic Anhydrase II


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of 1-Hydroxy-6-Methylpyridine-2(1H)-Thione Bound to Human Carbonic Anhydrase II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na305

b:4.7
occ:1.00
O A:HOH517 2.5 20.2 1.0
O A:HOH573 2.6 27.8 1.0
OD1 A:ASP72 3.2 18.1 1.0
O A:PHE70 3.4 10.8 1.0
CG A:ASP72 4.0 14.5 1.0
O A:HOH580 4.1 28.7 1.0
N A:ASP72 4.2 10.2 1.0
C A:PHE70 4.5 9.7 1.0
OD2 A:ASP72 4.5 15.8 1.0
CA A:ASP71 4.6 12.8 1.0
CB A:ASP72 4.9 12.5 1.0
C A:ASP71 4.9 13.1 1.0
N A:ASP71 5.0 11.2 1.0

Reference:

D.P.Martin, P.G.Blachly, J.A.Mccammon, S.M.Cohen. Exploring the Influence of the Protein Environment on Metal-Binding Pharmacophores. J.Med.Chem. V. 57 7126 2014.
ISSN: ISSN 0022-2623
PubMed: 25116076
DOI: 10.1021/JM500984B
Page generated: Mon Oct 7 17:57:05 2024

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