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Zinc in PDB 1i9m: Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 4-Difluorophenyl)Methyl]-Benzamide

Enzymatic activity of Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 4-Difluorophenyl)Methyl]-Benzamide

All present enzymatic activity of Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 4-Difluorophenyl)Methyl]-Benzamide:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 4-Difluorophenyl)Methyl]-Benzamide, PDB code: 1i9m was solved by C.-Y.Kim, P.P.Chandra, A.Jain, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.84
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.300, 40.800, 72.400, 90.00, 104.60, 90.00
R / Rfree (%) 19.4 / 25.6

Other elements in 1i9m:

The structure of Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 4-Difluorophenyl)Methyl]-Benzamide also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 4-Difluorophenyl)Methyl]-Benzamide (pdb code 1i9m). 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 Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 4-Difluorophenyl)Methyl]-Benzamide, PDB code: 1i9m:

Zinc binding site 1 out of 1 in 1i9m

Go back to Zinc Binding Sites List in 1i9m
Zinc binding site 1 out of 1 in the Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 4-Difluorophenyl)Methyl]-Benzamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 4-Difluorophenyl)Methyl]-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:17.2
occ:1.00
 NE2 A:HIS96 1.4 11.4 1.0
NP2 A:INW555 1.7 13.3 1.0
ND1 A:HIS119 1.8 9.9 1.0
NE2 A:HIS94 2.2 16.2 1.0
CD2 A:HIS96 2.3 4.5 1.0
CE1 A:HIS119 2.5 2.0 1.0
CE1 A:HIS96 2.6 6.9 1.0
S11 A:INW555 2.9 9.4 1.0
CD2 A:HIS94 2.9 5.1 1.0
CG A:HIS119 3.0 7.9 1.0
O13 A:INW555 3.1 10.7 1.0
CE1 A:HIS94 3.4 7.4 1.0
CG A:HIS96 3.5 9.0 1.0
OE1 A:GLU106 3.5 8.5 1.0
ND1 A:HIS96 3.6 5.5 1.0
CB A:HIS119 3.7 7.3 1.0
NE2 A:HIS119 3.7 6.0 1.0
OG1 A:THR199 4.0 9.7 1.0
CD2 A:HIS119 4.0 5.7 1.0
C03 A:INW555 4.0 10.1 1.0
O14 A:INW555 4.1 9.9 1.0
CG A:HIS94 4.2 8.1 1.0
ND1 A:HIS94 4.4 8.3 1.0
CD A:GLU106 4.4 7.0 1.0
C02 A:INW555 4.7 10.7 1.0
C04 A:INW555 4.8 9.7 1.0
CB A:HIS96 4.9 9.3 1.0

Reference:

C.Y.Kim, P.P.Chandra, A.Jain, D.W.Christianson. Fluoroaromatic-Fluoroaromatic Interactions Between Inhibitors Bound in the Crystal Lattice of Human Carbonic Anhydrase II. J.Am.Chem.Soc. V. 123 9620 2001.
ISSN: ISSN 0002-7863
PubMed: 11572683
DOI: 10.1021/JA011034P
Page generated: Sun Oct 13 02:59:04 2024

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