Brand  (β version)

PDB ID: 3VBD

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Ligands
Code Name Style Show Link
0FZ 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide PoSSuM
GOL Glycerol PoSSuM
MBO Mercuribenzoic acid PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3VBD   PDBj   RCSB PDB   PDBe
Header : LYASE/LYASE INHIBITOR
Title : Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
Release Data : 2012-04-04
Compound :
mol_id molecule chains synonym
1 Carbonic anhydrase 2 A Carbonate dehydratase II, Carbonic anhydrase C, CAC, Carbonic anhydrase II, CA-II
ec: 4.2.1.1
Source :
mol_id organism_scientific organism_common
1 Homo sapiens  (taxid:9606) Human
Authors : Mader, P., Brynda, J., Rezacova, P.
Keywords : LYASE-LYASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.05 Å )
Citation :

Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.

Gitto, R.,Damiano, F.M.,Mader, P.  et al.
(2012)  J.Med.Chem.  55 : 3891 - 3899

PubMed: 22443141
DOI: 10.1021/jm300112w

Reaction

Chain : A
UniProt : P00918 (CAH2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
hydrogencarbonate + H(+) = 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
-
urea = cyanamide + H2O 4.2.1.69 PubMed:10550681, PubMed:11015219
-
Cofactor: Evidence: Note:
Co(2+) ECO:0000269 | PubMed:11076507
ECO:0000269 | PubMed:12499545
ECO:0000269 | PubMed:1336460
ECO:0000269 | PubMed:1433293
ECO:0000269 | PubMed:1909891
ECO:0000269 | PubMed:19583303
ECO:0000269 | PubMed:3151019
ECO:0000269 | PubMed:3151020
ECO:0000269 | PubMed:7761440
ECO:0000269 | PubMed:7803386
ECO:0000269 | PubMed:7901850
ECO:0000269 | PubMed:8218160
ECO:0000269 | PubMed:8262987
ECO:0000269 | PubMed:8331673
ECO:0000269 | PubMed:8399159
ECO:0000269 | PubMed:8431430
ECO:0000269 | PubMed:8451242
ECO:0000269 | PubMed:8482389
ECO:0000269 | PubMed:8639494
ECO:0000269 | PubMed:8987974
ECO:0000269 | PubMed:9398308
ECO:0000269 | PubMed:9865942
ECO:0000269 | PubMed:19583303
Zinc. Can also use cobalt(II) with lower efficiency, but not copper(II), nickel(II) and manganese(II).