ISDA: 9TYE

Deposition Date 2026-01-18

Release Date 2026-05-13

Last Version Date 2026-05-13

Entry Detail

PDB ID:

9TYE

Keywords:

LYASE

Title:

Crystal structure of a phosphocoumarin derivative in complex with human carbonic anhydrase II

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli bl21(de3)

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.65 Å

R-Value Free:

0.17

R-Value Work:

0.15

R-Value Observed:

0.15

Space Group:

P 1 21 1

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Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Carbonic anhydrase 2
Gene (Uniprot):CA2
Chain IDs:A
Chain Length:260
Number of Molecules:1
Biological Source:Homo sapiens

UniProt ID:P00918 Pfam ID:PF00194 EC:4.2.1.1

Ligand Molecules

A1JX9

GOL

Primary Citation

Discovery of a Mixed and Prodrug-Like Inhibition Mechanism for Phosphocoumarins and Phosphoquinolinones against Human Carbonic Anhydrases.

Nocentini, A, Giovannuzzi, S, Alterio, V, Bonardi, A, Barons, R, Zalubovskis, R, Eldehna, W.M, Aronne, R, Esposito, D, Luchinat, E, De Simone, G, Bartolucci, G, Gratteri, P, Mori, M, Supuran, C.T.Show

J.Med.Chem. ? ? ? (2026)

PMID: 42055938 DOI: 10.1021/acs.jmedchem.6c00915

Primary Citation of related structures

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