Brand  (β version)

PDB ID: 6F3B

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
CJK 1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea PoSSuM
ACT Acetate ion PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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Structure summary

Code : 6F3B   PDBj   RCSB PDB   PDBe
Header : LYASE
Title : Crystal structure of human carbonic anhydrase I in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea inhibitor
Release Data : 2018-10-10
Compound :
mol_id molecule chains synonym
1 Carbonic anhydrase 1 A,B Carbonate dehydratase I,Carbonic anhydrase B,CAB,Carbonic anhydrase I,CA-I
ec: 4.2.1.1
Source :
mol_id organism_scientific organism_common
1 Homo sapiens  (taxid:9606) Human
Authors : Ferraroni, M., Supuran, C.T., Chiapponi, D., Bozdag, M.
Keywords : LYASE
Exp. method : X-RAY DIFFRACTION ( 1.40 Å )
Citation :

Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.

Bozdag, M.,Carta, F.,Ceruso, M.  et al.
(2018)  J. Med. Chem.  61 : 6328 - 6338

PubMed: 29962205
DOI: 10.1021/acs.jmedchem.8b00770

Reaction

Chain : A, B
UniProt : P00915 (CAH1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
H(+) + hydrogencarbonate = CO2 + H2O 4.2.1.1 PubMed:10550681, PubMed:16506782, PubMed:16686544, PubMed:16807956, PubMed:17127057, PubMed:17314045, PubMed:17407288, PubMed:18618712, PubMed:19186056, PubMed:19206230
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urea = cyanamide + H2O 4.2.1.69 PubMed:10550681
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