Zinc in PDB 7mu3: Human Carbonic Anhydrase 9 Mimic with Compound

Enzymatic activity of Human Carbonic Anhydrase 9 Mimic with Compound

All present enzymatic activity of Human Carbonic Anhydrase 9 Mimic with Compound:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase 9 Mimic with Compound, PDB code: 7mu3 was solved by T.S.Peat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.83 / 1.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.016, 41.612, 72.053, 90, 103.84, 90
R / Rfree (%) 11.9 / 14.8

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase 9 Mimic with Compound (pdb code 7mu3). 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 9 Mimic with Compound, PDB code: 7mu3:

Zinc binding site 1 out of 1 in 7mu3

Go back to Zinc Binding Sites List in 7mu3
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase 9 Mimic with Compound


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 9 Mimic with Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:8.7
occ:0.80
N23 A:ZOA302 1.9 13.9 0.7
ND1 A:HIS119 2.0 8.3 1.0
NE2 A:HIS94 2.0 8.8 1.0
NE2 A:HIS96 2.1 9.0 1.0
O A:HOH401 2.2 21.9 1.0
O22 A:ZOA302 2.9 14.5 0.7
CE1 A:HIS119 2.9 8.5 1.0
S21 A:ZOA302 3.0 14.2 0.7
CD2 A:HIS94 3.0 9.3 1.0
CE1 A:HIS94 3.0 9.4 1.0
CD2 A:HIS96 3.0 8.3 1.0
CE1 A:HIS96 3.1 8.4 1.0
CG A:HIS119 3.1 7.1 1.0
CB A:HIS119 3.5 6.6 1.0
OG1 A:THR199 3.6 8.2 1.0
O A:HOH563 3.7 23.1 1.0
OE1 A:GLU106 3.9 8.6 1.0
O24 A:ZOA302 4.0 12.6 0.7
NE2 A:HIS119 4.1 7.9 1.0
ND1 A:HIS94 4.1 9.0 1.0
CG A:HIS94 4.2 8.4 1.0
CD2 A:HIS119 4.2 7.5 1.0
ND1 A:HIS96 4.2 8.8 1.0
CG A:HIS96 4.2 7.6 1.0
C20 A:ZOA302 4.2 14.7 0.7
O A:HOH615 4.3 18.0 1.0
C19 A:ZOA302 4.8 15.2 0.7
CD A:GLU106 4.8 7.4 1.0
CA A:HIS119 5.0 6.4 1.0
CB A:THR199 5.0 8.3 1.0

Reference:

A.Gumus, M.Bozdag, A.Angeli, T.S.Peat, F.Carta, C.T.Supuran, S.Selleri. Privileged Scaffolds in Medicinal Chemistry: Studies on Pyrazolo[1,5-A]Pyrimidines on Sulfonamide Containing Carbonic Anhydrase Inhibitors. Bioorg.Med.Chem.Lett. V. 49 28309 2021.
ISSN: ESSN 1464-3405
PubMed: 34371130
DOI: 10.1016/J.BMCL.2021.128309
Page generated: Fri Sep 24 17:08:10 2021

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