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Zinc in PDB 3qyk: Human Carbonic Anhydrase II Complexed with Triple Ring Benzene Sulfonamide Inhibitor

Enzymatic activity of Human Carbonic Anhydrase II Complexed with Triple Ring Benzene Sulfonamide Inhibitor

All present enzymatic activity of Human Carbonic Anhydrase II Complexed with Triple Ring Benzene Sulfonamide Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II Complexed with Triple Ring Benzene Sulfonamide Inhibitor, PDB code: 3qyk 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) 23.36 / 1.47
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.280, 41.362, 72.272, 90.00, 104.18, 90.00
R / Rfree (%) 15.8 / 17.8

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II Complexed with Triple Ring Benzene Sulfonamide Inhibitor (pdb code 3qyk). 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 II Complexed with Triple Ring Benzene Sulfonamide Inhibitor, PDB code: 3qyk:

Zinc binding site 1 out of 1 in 3qyk

Go back to Zinc Binding Sites List in 3qyk
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II Complexed with Triple Ring Benzene Sulfonamide Inhibitor


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 II Complexed with Triple Ring Benzene Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:8.7
occ:1.00
NAB A:IE2263 1.9 5.5 0.8
NE2 A:HIS96 2.0 6.9 1.0
ND1 A:HIS119 2.1 9.5 1.0
NE2 A:HIS94 2.1 7.5 1.0
CE1 A:HIS119 3.0 7.2 1.0
CD2 A:HIS94 3.0 8.4 1.0
CD2 A:HIS96 3.0 8.3 1.0
OAD A:IE2263 3.0 7.0 0.8
CE1 A:HIS96 3.0 8.6 1.0
SAX A:IE2263 3.0 6.1 0.8
CE1 A:HIS94 3.1 6.4 1.0
CG A:HIS119 3.1 6.9 1.0
HD2 A:HIS96 3.2 10.0 1.0
HE1 A:HIS96 3.2 10.3 1.0
CB A:HIS119 3.6 7.4 1.0
OG1 A:THR199 3.8 7.2 1.0
O A:HOH389 3.9 28.9 1.0
OE1 A:GLU106 4.0 8.4 1.0
NE2 A:HIS119 4.1 6.9 1.0
OAC A:IE2263 4.1 6.5 0.8
ND1 A:HIS96 4.1 8.7 1.0
CG A:HIS96 4.2 8.2 1.0
CG A:HIS94 4.2 7.4 1.0
ND1 A:HIS94 4.2 7.4 1.0
CD2 A:HIS119 4.2 7.8 1.0
CAR A:IE2263 4.3 8.1 0.8
HG23 A:THR200 4.8 15.3 1.0
HG11 A:VAL143 4.9 11.0 1.0
CD A:GLU106 4.9 9.3 1.0

Reference:

M.Aggarwal, R.Mckenna, C.T.Supuran. Human Carbonic Anhydrase II Complexed with Triple Ring Benzene Sulfonamide Inhibitor To Be Published.
Page generated: Wed Dec 16 04:46:22 2020

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