Atomistry » Zinc » PDB 1i96-1im5 » 1i9n
Atomistry »
  Zinc »
    PDB 1i96-1im5 »
      1i9n »

Zinc in PDB 1i9n: Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 5-Difluorophenyl)Methyl]-Benzamide

Enzymatic activity of Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 5-Difluorophenyl)Methyl]-Benzamide

All present enzymatic activity of Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 5-Difluorophenyl)Methyl]-Benzamide:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 5-Difluorophenyl)Methyl]-Benzamide, PDB code: 1i9n 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 / 1.86
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 43.132, 41.694, 73.347, 90.00, 104.83, 90.00
R / Rfree (%) 22.1 / 28

Other elements in 1i9n:

The structure of Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 5-Difluorophenyl)Methyl]-Benzamide also contains other interesting chemical elements:

Fluorine (F) 2 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, 5-Difluorophenyl)Methyl]-Benzamide (pdb code 1i9n). 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, 5-Difluorophenyl)Methyl]-Benzamide, PDB code: 1i9n:

Zinc binding site 1 out of 1 in 1i9n

Go back to Zinc Binding Sites List in 1i9n
Zinc binding site 1 out of 1 in the Carbonic Anhydrase II (F131V) Complexed with 4-(Aminosulfonyl)-N-[(2, 5-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, 5-Difluorophenyl)Methyl]-Benzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:18.8
occ:1.00
 NP2 A:IOA555 1.7 13.8 1.0
NE2 A:HIS94 1.8 10.8 1.0
ND1 A:HIS119 1.8 14.4 1.0
NE2 A:HIS96 2.0 11.1 1.0
CD2 A:HIS94 2.7 9.4 1.0
S11 A:IOA555 2.7 11.0 1.0
CE1 A:HIS119 2.8 11.6 1.0
CE1 A:HIS94 2.9 8.0 1.0
O13 A:IOA555 2.9 12.7 1.0
CG A:HIS119 2.9 9.8 1.0
CE1 A:HIS96 3.0 8.3 1.0
CD2 A:HIS96 3.1 6.2 1.0
CB A:HIS119 3.4 9.7 1.0
C03 A:IOA555 3.8 13.4 1.0
CG A:HIS94 3.9 9.2 1.0
ND1 A:HIS94 4.0 9.0 1.0
NE2 A:HIS119 4.0 12.1 1.0
O14 A:IOA555 4.0 10.7 1.0
CD2 A:HIS119 4.0 12.3 1.0
ND1 A:HIS96 4.2 6.1 1.0
OG1 A:THR199 4.2 8.2 1.0
CG A:HIS96 4.2 8.6 1.0
OE1 A:GLU106 4.3 8.2 1.0
C02 A:IOA555 4.5 11.6 1.0
C04 A:IOA555 4.5 12.1 1.0
CA A:HIS119 4.9 6.0 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 02:59:34 2024

Last articles

Fe in 4FHG
Fe in 4FIL
Fe in 4FJP
Fe in 4FIM
Fe in 4FHF
Fe in 4FIA
Fe in 4FHD
Fe in 4FHE
Fe in 4FHC
Fe in 4FH7
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy