Brand  (β version)

PDB ID: 3M2N

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Ligands
Code Name Style Show Link
BCN Bicine PoSSuM
DMS Dimethyl sulfoxide PoSSuM
J74 4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3M2N   PDBj   RCSB PDB   PDBe
Header : LYASE/LYASE INHIBITOR
Title : Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
Release Data : 2011-02-16
Compound :
mol_id molecule chains synonym
1 Carbonic anhydrase 2 A Carbonic anhydrase II, CA-II, Carbonate dehydratase II, Carbonic anhydrase C, CAC
ec: 4.2.1.1
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET15b
Authors : Grazulis, S., Manakova, E., Golovenko, D.
Keywords : drug design, carbonic anhydrase, sulfonamide, Lyase, Metal-binding, LYASE-LYASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.65 Å )
Citation :

Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.

Capkauskaite, E.,Zubriene, A.,Baranauskiene, L.  et al.
(2012)  Eur.J.Med.Chem.  51 : 259 - 270

PubMed: 22440859
DOI: 10.1016/j.ejmech.2012.02.050

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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