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Zinc 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:

Sodium (Na) 1 atom

Zinc Binding Sites:

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

Zinc binding site 1 out of 1 in 3hlj

Go back to Zinc Binding Sites List in 3hlj
Zinc 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 Zinc with other atoms in the Zn 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:Zn272

b:7.7
occ:1.00
 N10 A:V21262 2.0 9.6 1.0
NE2 A:HIS94 2.0 7.4 1.0
NE2 A:HIS96 2.1 8.1 1.0
ND1 A:HIS119 2.1 7.3 1.0
CE1 A:HIS119 2.9 8.0 1.0
CD2 A:HIS94 3.0 8.2 1.0
CD2 A:HIS96 3.0 9.2 1.0
O11 A:V21262 3.0 10.5 1.0
S9 A:V21262 3.0 11.3 1.0
CE1 A:HIS94 3.1 6.9 1.0
CE1 A:HIS96 3.1 8.8 1.0
CG A:HIS119 3.2 5.8 1.0
CB A:HIS119 3.6 6.1 1.0
O A:HOH437 3.8 30.0 1.0
OG1 A:THR199 3.9 6.7 1.0
OE1 A:GLU106 4.0 7.5 1.0
NE2 A:HIS119 4.1 7.3 1.0
CG A:HIS94 4.1 8.1 1.0
ND1 A:HIS94 4.1 9.1 1.0
C8 A:V21262 4.2 11.5 1.0
CG A:HIS96 4.2 7.8 1.0
O12 A:V21262 4.2 10.3 1.0
ND1 A:HIS96 4.2 8.2 1.0
CD2 A:HIS119 4.2 6.8 1.0
C7 A:V21262 4.9 13.3 1.0
C13 A:V21262 4.9 12.5 1.0
CD A:GLU106 4.9 7.7 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: Wed Dec 16 04:24:07 2020

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