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Zinc in PDB 4mo8: The Crystal Structure of the Human Carbonic Anhydrase II in Complex with N-[2-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)Ethyl]Sulfamide

Enzymatic activity of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with N-[2-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)Ethyl]Sulfamide

All present enzymatic activity of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with N-[2-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)Ethyl]Sulfamide:
4.2.1.1;

Protein crystallography data

The structure of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with N-[2-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)Ethyl]Sulfamide, PDB code: 4mo8 was solved by V.Alterio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.170, 41.220, 71.950, 90.00, 104.22, 90.00
R / Rfree (%) 16.3 / 19.6

Zinc Binding Sites:

The binding sites of Zinc atom in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with N-[2-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)Ethyl]Sulfamide (pdb code 4mo8). 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 The Crystal Structure of the Human Carbonic Anhydrase II in Complex with N-[2-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)Ethyl]Sulfamide, PDB code: 4mo8:

Zinc binding site 1 out of 1 in 4mo8

Go back to Zinc Binding Sites List in 4mo8
Zinc binding site 1 out of 1 in the The Crystal Structure of the Human Carbonic Anhydrase II in Complex with N-[2-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)Ethyl]Sulfamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of the Human Carbonic Anhydrase II in Complex with N-[2-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)Ethyl]Sulfamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:7.7
occ:1.00
 NE2 A:HIS94 2.0 6.5 1.0
N1 A:2VQ302 2.0 9.5 1.0
NE2 A:HIS96 2.0 7.9 1.0
ND1 A:HIS119 2.0 7.4 1.0
CD2 A:HIS94 2.9 7.2 1.0
CE1 A:HIS119 2.9 6.4 1.0
CD2 A:HIS96 3.0 7.6 1.0
CE1 A:HIS94 3.0 7.6 1.0
CE1 A:HIS96 3.1 6.4 1.0
CG A:HIS119 3.1 5.6 1.0
O2 A:2VQ302 3.2 11.3 1.0
S1 A:2VQ302 3.2 10.9 1.0
CB A:HIS119 3.6 4.0 1.0
OE1 A:GLU106 3.9 6.5 1.0
OG1 A:THR199 4.0 5.0 1.0
C1 A:2VQ302 4.0 16.8 1.0
CG A:HIS94 4.1 6.1 1.0
N5 A:2VQ302 4.1 14.3 1.0
ND1 A:HIS94 4.1 5.1 1.0
O A:HOH503 4.1 19.8 1.0
CG A:HIS96 4.1 5.4 1.0
NE2 A:HIS119 4.1 5.7 1.0
ND1 A:HIS96 4.2 5.1 1.0
CD2 A:HIS119 4.2 5.3 1.0
O1 A:2VQ302 4.2 11.3 1.0
CD A:GLU106 4.9 7.9 1.0

Reference:

M.Rami, L.Dubois, N.K.Parvathaneni, V.Alterio, S.J.Van Kuijk, S.M.Monti, P.Lambin, G.De Simone, C.T.Supuran, J.Y.Winum. Hypoxia-Targeting Carbonic Anhydrase IX Inhibitors By A New Series of Nitroimidazole-Sulfonamides/Sulfamides/Sulfamates. J.Med.Chem. V. 56 8512 2013.
ISSN: ISSN 0022-2623
PubMed: 24128000
DOI: 10.1021/JM4009532
Page generated: Sun Oct 27 02:36:37 2024

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