ISDA: 29TB

Deposition Date 2026-04-07

Release Date 2026-10-21

Last Version Date 2026-10-21

Entry Detail

PDB ID:

29TB

Keywords:

LYASE

Title:

Crystal structure of carbonic anhydrase II with 3-(benzylthio)phenyl sulfamate

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:

1.60 Å

R-Value Free:

0.18

R-Value Work:

0.17

R-Value Observed:

0.17

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:260
Number of Molecules:1
Biological Source:Homo sapiens

UniProt ID:P00918 EC:4.2.1.1

Ligand Molecules

A1J4K

BCN

DMS

Primary Citation

Structure-Affinity and Selectivity of Aryl-Sulfamates as Inhibitors of Carbonic Anhydrase IX

Stancaitis, L, Liberis, M, Baranauskiene, L, Paketuryte-Latve, V, Kvietkauskaite, A, Petrauskas, V, Manakova, E, Smirnov, A, Mickeviciute, A, Juozapaitiene, V, Gedgaudas, M, Kojis, T, Matuliene, J, Grazulis, S, Capkauskaite, E, Matulis, D.Show

J.Med.Chem. 69 22993 23008 (2026)

DOI: 10.1021/acs.jmedchem.6c02393

Primary Citation of related structures

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