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Zinc in PDB 6oti: Carbonic Anhydrase IX Mimic Complexed with Ureic Benzene Sulfonamide MB9-561B

Enzymatic activity of Carbonic Anhydrase IX Mimic Complexed with Ureic Benzene Sulfonamide MB9-561B

All present enzymatic activity of Carbonic Anhydrase IX Mimic Complexed with Ureic Benzene Sulfonamide MB9-561B:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase IX Mimic Complexed with Ureic Benzene Sulfonamide MB9-561B, PDB code: 6oti was solved by A.Kota, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.32 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.503, 41.603, 72.490, 90.00, 103.45, 90.00
R / Rfree (%) 19.9 / 25.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase IX Mimic Complexed with Ureic Benzene Sulfonamide MB9-561B (pdb code 6oti). 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 IX Mimic Complexed with Ureic Benzene Sulfonamide MB9-561B, PDB code: 6oti:

Zinc binding site 1 out of 1 in 6oti

Go back to Zinc Binding Sites List in 6oti
Zinc binding site 1 out of 1 in the Carbonic Anhydrase IX Mimic Complexed with Ureic Benzene Sulfonamide MB9-561B


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase IX Mimic Complexed with Ureic Benzene Sulfonamide MB9-561B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:13.4
occ:1.00
NAJ A:N84302 2.0 10.2 1.0
ND1 A:HIS119 2.0 7.6 1.0
NE2 A:HIS94 2.1 16.0 1.0
NE2 A:HIS96 2.1 16.7 1.0
CE1 A:HIS119 2.9 11.6 1.0
CD2 A:HIS96 2.9 13.4 1.0
CD2 A:HIS94 3.0 13.1 1.0
SAG A:N84302 3.0 17.9 1.0
OAI A:N84302 3.0 12.4 1.0
CE1 A:HIS94 3.1 16.9 1.0
CG A:HIS119 3.1 8.2 1.0
CE1 A:HIS96 3.2 12.6 1.0
CB A:HIS119 3.5 11.6 1.0
O A:HOH431 3.8 25.5 1.0
OE1 A:GLU106 3.8 34.6 1.0
OG1 A:THR199 3.9 9.7 1.0
NE2 A:HIS119 4.0 7.2 1.0
CD2 A:HIS119 4.1 11.7 1.0
CG A:HIS94 4.1 11.2 1.0
ND1 A:HIS94 4.1 10.7 1.0
CG A:HIS96 4.1 13.6 1.0
CAE A:N84302 4.2 16.3 1.0
OAH A:N84302 4.2 20.8 1.0
ND1 A:HIS96 4.3 13.7 1.0
CAD A:N84302 4.8 20.4 1.0
CD A:GLU106 4.9 29.1 1.0
O A:HOH427 4.9 33.4 1.0
CA A:HIS119 5.0 14.2 1.0
CAF A:N84302 5.0 19.2 1.0

Reference:

A.Kota, R.Mckenna. Carbonic Anhydrase IX Mimic Complexed with Ureido Benzene Sulfonamide MB9-561B To Be Published.
Page generated: Wed Dec 16 12:27:30 2020

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