ISDA: 30XX

Deposition Date 2026-05-18

Release Date 2026-08-05

Last Version Date 2026-08-05

Entry Detail

PDB ID:

30XX

Keywords:

LYASE

Title:

Crystal structure of hCA II in complex with an 1-Aryl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide inhibitor

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.15 Å

R-Value Free:

0.15

R-Value Work:

0.13

R-Value Observed:

0.13

Space Group:

P 1 21 1

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Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Carbonic anhydrase 2
Gene (Uniprot):CA2
Chain IDs:A
Chain Length:262
Number of Molecules:1
Biological Source:Homo sapiens

UniProt ID:P00918 Pfam ID:PF00194 EC:4.2.1.1

Ligand Molecules

A1J8Y

GOL

Primary Citation

1-Aryl-6,7-Dimethoxy-3,4-Dihydroisoquinoline-2(1H)-Sulfonamides as hCA XII Selective Inhibitors: Experimental and Theoretical Studies to Interrogate the Isoform Selectivity.

Ricci, F, Di Fiore, A, Angeli, A, De Luca, L, Mancuso, F, Esposito, D, De Simone, G, Supuran, C.T, Gitto, R.Show

Chemmedchem 21 e70390 e70390 (2026)

PMID: 42493249 DOI: 10.1002/cmdc.70390

Primary Citation of related structures

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