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Zinc in PDB 4yvy: Crystal Structure of Human Carbonic Anhydrase II in Complex with Hydroxylamine-O-Sulfonamide, A Molecule Incorporating Two Zinc- Binding Groups.

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with Hydroxylamine-O-Sulfonamide, A Molecule Incorporating Two Zinc- Binding Groups.

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with Hydroxylamine-O-Sulfonamide, A Molecule Incorporating Two Zinc- Binding Groups.:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with Hydroxylamine-O-Sulfonamide, A Molecule Incorporating Two Zinc- Binding Groups., PDB code: 4yvy was solved by A.Di Fiore, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.236, 41.319, 72.153, 90.00, 104.39, 90.00
R / Rfree (%) 16.2 / 19.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with Hydroxylamine-O-Sulfonamide, A Molecule Incorporating Two Zinc- Binding Groups. (pdb code 4yvy). 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 II in Complex with Hydroxylamine-O-Sulfonamide, A Molecule Incorporating Two Zinc- Binding Groups., PDB code: 4yvy:

Zinc binding site 1 out of 1 in 4yvy

Go back to Zinc Binding Sites List in 4yvy
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with Hydroxylamine-O-Sulfonamide, A Molecule Incorporating Two Zinc- Binding Groups.


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 II in Complex with Hydroxylamine-O-Sulfonamide, A Molecule Incorporating Two Zinc- Binding Groups. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:6.8
occ:1.00
 NE2 A:HIS94 2.0 4.8 1.0
NE2 A:HIS96 2.0 5.6 1.0
ND1 A:HIS119 2.0 5.9 1.0
O A:HOH401 2.0 4.3 0.3
O1 A:4J3302 2.0 7.4 0.3
N1 A:4J3302 2.1 8.8 0.3
N2 A:4J3302 2.1 10.0 0.3
O2 A:4J3302 2.9 4.3 0.3
CE1 A:HIS119 2.9 4.9 1.0
CD2 A:HIS94 2.9 6.4 1.0
CE1 A:HIS96 3.0 6.4 1.0
CE1 A:HIS94 3.0 5.6 1.0
S1 A:4J3302 3.0 5.5 0.3
CD2 A:HIS96 3.1 6.6 1.0
CG A:HIS119 3.1 4.7 1.0
N2 A:4J3302 3.3 7.4 0.3
S1 A:4J3302 3.3 8.9 0.3
CB A:HIS119 3.5 3.2 1.0
O1 A:4J3302 3.6 8.1 0.3
O A:HOH402 3.7 15.0 0.7
O3 A:4J3302 3.7 10.2 0.3
N1 A:4J3302 3.9 8.0 0.3
OG1 A:THR199 3.9 5.5 1.0
OE1 A:GLU106 4.0 6.3 1.0
CG A:HIS94 4.1 4.7 1.0
ND1 A:HIS94 4.1 5.8 1.0
NE2 A:HIS119 4.1 4.7 1.0
ND1 A:HIS96 4.2 6.2 1.0
O A:HOH648 4.2 19.1 1.0
O3 A:4J3302 4.2 5.1 0.3
CG A:HIS96 4.2 6.4 1.0
CD2 A:HIS119 4.2 4.0 1.0
O2 A:4J3302 4.5 8.7 0.3
CD A:GLU106 4.9 8.2 1.0

Reference:

A.Di Fiore, A.Vergara, M.Caterino, V.Alterio, S.M.Monti, J.Ombouma, P.Dumy, D.Vullo, C.T.Supurand, J.-Y.Winum, G.De Simone. A Versatile Zinc-Binding Group For Carbonic Anhydrase Inhibitors To Be Published.
Page generated: Sun Oct 27 11:27:44 2024

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