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Zinc in PDB 3p5l: Human Carbonic Anhydrase Complexed with Sodium 4-Cyano-4- Phenylpiperidine-1-Carbodithioate

Enzymatic activity of Human Carbonic Anhydrase Complexed with Sodium 4-Cyano-4- Phenylpiperidine-1-Carbodithioate

All present enzymatic activity of Human Carbonic Anhydrase Complexed with Sodium 4-Cyano-4- Phenylpiperidine-1-Carbodithioate:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase Complexed with Sodium 4-Cyano-4- Phenylpiperidine-1-Carbodithioate, PDB code: 3p5l was solved by M.Aggarwal, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.99 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.325, 41.310, 72.169, 90.00, 104.45, 90.00
R / Rfree (%) 16.6 / 19

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase Complexed with Sodium 4-Cyano-4- Phenylpiperidine-1-Carbodithioate (pdb code 3p5l). 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 Human Carbonic Anhydrase Complexed with Sodium 4-Cyano-4- Phenylpiperidine-1-Carbodithioate, PDB code: 3p5l:

Zinc binding site 1 out of 1 in 3p5l

Go back to Zinc Binding Sites List in 3p5l
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase Complexed with Sodium 4-Cyano-4- Phenylpiperidine-1-Carbodithioate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase Complexed with Sodium 4-Cyano-4- Phenylpiperidine-1-Carbodithioate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:12.3
occ:1.00
 NE2 A:HIS94 2.0 11.6 1.0
ND1 A:HIS119 2.1 9.6 1.0
NE2 A:HIS96 2.1 7.8 1.0
SAB A:IT5263 2.3 17.0 1.0
CE1 A:HIS119 2.9 9.0 1.0
CE1 A:HIS94 3.0 10.7 1.0
CD2 A:HIS94 3.0 10.6 1.0
CE1 A:HIS96 3.1 11.5 1.0
CD2 A:HIS96 3.1 10.2 1.0
CG A:HIS119 3.2 9.2 1.0
CAN A:IT5263 3.2 13.5 1.0
SAC A:IT5263 3.5 15.6 1.0
CB A:HIS119 3.6 8.7 1.0
OG1 A:THR199 3.8 11.5 1.0
NE2 A:HIS119 4.1 9.8 1.0
N22 A:IT5263 4.1 17.7 1.0
OE1 A:GLU106 4.1 12.5 1.0
ND1 A:HIS94 4.1 9.7 1.0
ND1 A:HIS96 4.2 11.0 1.0
CG A:HIS94 4.2 11.3 1.0
CG A:HIS96 4.2 10.6 1.0
CD2 A:HIS119 4.2 9.1 1.0
O A:HOH398 4.3 26.8 1.0
CAK A:IT5263 4.5 18.6 1.0

Reference:

F.Carta, M.Aggarwal, A.Maresca, A.Scozzafava, R.Mckenna, C.T.Supuran. Dithiocarbamates: A New Class of Carbonic Anhydrase Inhibitors. Crystallographic and Kinetic Investigations. Chem.Commun.(Camb.) V. 48 1868 2012.
ISSN: ISSN 1359-7345
PubMed: 22218610
DOI: 10.1039/C2CC16395K
Page generated: Sat Oct 26 11:19:30 2024

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