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Sodium in PDB 3hlj: Crystal Structure of Human Carbonic Anhydrase Isozyme II with 3- Methylthiobenzimidazo[1,2-C][1,2,3]Thiadiazol-7-Sulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 3- Methylthiobenzimidazo[1,2-C][1,2,3]Thiadiazol-7-Sulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 3- Methylthiobenzimidazo[1,2-C][1,2,3]Thiadiazol-7-Sulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 3- Methylthiobenzimidazo[1,2-C][1,2,3]Thiadiazol-7-Sulfonamide, PDB code: 3hlj was solved by S.Grazulis, E.Manakova, D.Golovenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.81 / 1.44
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.140, 40.927, 72.036, 90.00, 104.23, 90.00
R / Rfree (%) 17.5 / 20.6

Other elements in 3hlj:

The structure of Crystal Structure of Human Carbonic Anhydrase Isozyme II with 3- Methylthiobenzimidazo[1,2-C][1,2,3]Thiadiazol-7-Sulfonamide also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 3- Methylthiobenzimidazo[1,2-C][1,2,3]Thiadiazol-7-Sulfonamide (pdb code 3hlj). 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 Human Carbonic Anhydrase Isozyme II with 3- Methylthiobenzimidazo[1,2-C][1,2,3]Thiadiazol-7-Sulfonamide, PDB code: 3hlj:

Sodium binding site 1 out of 1 in 3hlj

Go back to Sodium Binding Sites List in 3hlj
Sodium binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase Isozyme II with 3- Methylthiobenzimidazo[1,2-C][1,2,3]Thiadiazol-7-Sulfonamide


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 Human Carbonic Anhydrase Isozyme II with 3- Methylthiobenzimidazo[1,2-C][1,2,3]Thiadiazol-7-Sulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na263

b:37.1
occ:1.00
 O A:HOH358 3.0 22.7 1.0
N A:TYR7 3.2 17.6 1.0
CA A:GLY6 3.7 17.3 1.0
C A:GLY6 3.9 17.0 1.0
CG A:PHE231 3.9 17.9 1.0
CD1 A:PHE231 4.0 17.5 1.0
CD2 A:PHE231 4.1 17.7 1.0
CA A:TYR7 4.1 18.5 1.0
CE1 A:PHE231 4.2 17.5 1.0
CE2 A:PHE231 4.3 17.4 1.0
ND2 A:ASN11 4.3 20.2 1.0
CZ A:PHE231 4.3 16.2 1.0
C A:TYR7 4.3 20.4 1.0
CB A:PHE231 4.5 19.0 1.0
CB A:TYR7 4.5 17.2 1.0
N A:GLY8 4.6 21.7 1.0
OD1 A:ASN11 4.6 20.7 1.0
CD2 A:TYR7 4.6 12.7 1.0
O A:TYR7 4.8 21.6 1.0
CG A:ASN11 4.9 20.2 1.0
N A:GLY6 4.9 18.0 1.0

Reference:

L.Baranauskiene, M.Hilvo, J.Matuliene, D.Golovenko, E.Manakova, V.Dudutiene, V.Michailoviene, J.Torresan, J.Jachno, S.Parkkila, A.Maresca, C.T.Supuran, S.Grazulis, D.Matulis. Inhibition and Binding Studies of Carbonic Anhydrase Isozymes I, II and IX with Benzimidazo[1,2-C][1,2,3]Thiadiazole-7-Sulphonamides J Enzyme Inhib Med Chem V. 25 863 2010.
ISSN: ISSN 1475-6366
PubMed: 20166809
DOI: 10.3109/14756360903571685
Page generated: Mon Oct 7 10:25:13 2024

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