Brand  (β version)

PDB ID: 3BET

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Ligands
Code Name Style Show Link
CTF (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate PoSSuM
GOL Glycerol PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3BET   PDBj   RCSB PDB   PDBe
Header : LYASE
Title : Crystal structure of the human carbonic anhydrase II in complex with STX 641 at 1.85 angstroms resolution
Release Data : 2008-10-07
Compound :
mol_id molecule chains synonym
1 Carbonic anhydrase 2 A Carbonic anhydrase II, Carbonate dehydratase II, CA-II, Carbonic anhydrase C
ec: 4.2.1.1
Source :
mol_id organism_scientific organism_common
1 Homo sapiens  (taxid:9606) Human
Authors : Di Fiore, A., De Simone, G.
Keywords : Protein-inhibitor complex, Disease mutation, Lyase, Metal-binding
Exp. method : X-RAY DIFFRACTION ( 1.85 Å )
Citation :

Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents

Leese, M.P.,Jourdan, F.L.,Gaukroger, K.  et al.
(2008)  J.Med.Chem.  51 : 1295 - 1308

PubMed: 18260615
DOI: 10.1021/jm701319c

Refined structure of human carbonic anhydrase II at 2.0 A resolution

Eriksson, A.E.,Jones, T.A.,Liljas, A.
(1988)  Proteins  4 : 274 - 282

PubMed: 3151019
DOI: 10.1002/prot.340040406

2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity

Leese, M.P.,Leblond, B.,Smith, A.  et al.
(2006)  J.Med.Chem.  49 : 7683 - 7696

PubMed: 17181151
DOI: 10.1021/jm060705x

Reaction

Chain : A
UniProt : P00918 (CAH2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
H(+) + hydrogencarbonate = CO2 + H2O 4.2.1.1 PubMed:11327835, PubMed:11802772, PubMed:11831900, PubMed:12056894, PubMed:12171926, PubMed:1336460, PubMed:14736236, PubMed:15300855, PubMed:15453828, PubMed:15667203, PubMed:15865431, PubMed:16106378, PubMed:16214338, PubMed:16290146, PubMed:16686544, PubMed:16759856, PubMed:16807956, PubMed:17127057, PubMed:17251017, PubMed:17314045, PubMed:17330962, PubMed:17346964, PubMed:17540563, PubMed:17588751, PubMed:17705204, PubMed:18024029, PubMed:18162396, PubMed:18266323, PubMed:18374572, PubMed:18481843, PubMed:18618712, PubMed:18640037, PubMed:18942852, PubMed:1909891, PubMed:1910042, PubMed:19170619, PubMed:19186056, PubMed:19206230, PubMed:19520834, PubMed:19778001, PubMed:7761440, PubMed:7901850, PubMed:8218160, PubMed:8262987, PubMed:8399159, PubMed:8451242, PubMed:8485129, PubMed:8639494, PubMed:9265618, PubMed:9398308
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urea = cyanamide + H2O 4.2.1.69 PubMed:10550681, PubMed:11015219
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