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PDBsum entry 4z1k
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PDB id:
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Lyase
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Title:
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Carbonic anhydrase inhibitors: design and synthesis of new heteroaryl- n-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hca vii, hca ix, and hca xiv)
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Structure:
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Carbonic anhydrase 2. Chain: a. Synonym: carbonate dehydratase ii,carbonic anhydrasE C,cac,carbonic anhydrase ii,ca-ii. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: ca2. Expressed in: escherichia coli. Expression_system_taxid: 562
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Resolution:
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1.35Å
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R-factor:
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0.136
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R-free:
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0.170
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Authors:
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J.Brynda,K.Pospisilova,P.Rezacova,P.Pachl
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Key ref:
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M.R.Buemi
et al.
(2015).
Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur J Med Chem,
102,
223-232.
PubMed id:
DOI:
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Date:
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27-Mar-15
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Release date:
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26-Aug-15
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PROCHECK
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Headers
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References
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P00918
(CAH2_HUMAN) -
Carbonic anhydrase 2 from Homo sapiens
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Seq:
Struc:
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260 a.a.
257 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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Enzyme class 2:
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E.C.4.2.1.1
- carbonic anhydrase.
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Reaction:
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hydrogencarbonate + H+ = CO2 + H2O
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hydrogencarbonate
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+
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H(+)
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=
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CO2
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+
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H2O
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Cofactor:
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Zn(2+)
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Enzyme class 3:
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E.C.4.2.1.69
- cyanamide hydratase.
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Reaction:
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urea = cyanamide + H2O
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urea
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=
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cyanamide
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+
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H2O
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Note, where more than one E.C. class is given (as above), each may
correspond to a different protein domain or, in the case of polyprotein
precursors, to a different mature protein.
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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DOI no:
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Eur J Med Chem
102:223-232
(2015)
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PubMed id:
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Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
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M.R.Buemi,
L.De Luca,
S.Ferro,
E.Bruno,
M.Ceruso,
C.T.Supuran,
K.Pospíšilová,
J.Brynda,
P.Řezáčová,
R.Gitto.
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ABSTRACT
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