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PDBsum entry 2weh
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Contents |
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* Residue conservation analysis
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PDB id:
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Lyase
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Title:
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Thermodynamic optimisation of carbonic anhydrase fragment inhibitors
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Structure:
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Carbonic anhydrase 2. Chain: a. Fragment: residues 2-260. Synonym: carbonic anhydrase ii, carbonate dehydratase ii, carbonic anhydrasE C, ca-ii, cac. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562
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Resolution:
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2.09Å
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R-factor:
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0.169
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R-free:
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0.241
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Authors:
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A.D.Scott,C.Phillips,A.Alex,A.Bent,R.O'Brien,L.Damian,L.H.Jones
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Key ref:
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A.D.Scott
et al.
(2009).
Thermodynamic optimisation in drug discovery: a case study using carbonic anhydrase inhibitors.
Chemmedchem,
4,
1985-1989.
PubMed id:
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Date:
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31-Mar-09
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Release date:
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10-Nov-09
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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.
258 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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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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Chemmedchem
4:1985-1989
(2009)
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PubMed id:
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Thermodynamic optimisation in drug discovery: a case study using carbonic anhydrase inhibitors.
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A.D.Scott,
C.Phillips,
A.Alex,
M.Flocco,
A.Bent,
A.Randall,
R.O'Brien,
L.Damian,
L.H.Jones.
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ABSTRACT
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Literature references that cite this PDB file's key reference
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PubMed id
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Reference
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R.J.Falconer,
and
B.M.Collins
(2011).
Survey of the year 2009: applications of isothermal titration calorimetry.
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J Mol Recognit,
24,
1.
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The most recent references are shown first.
Citation data come partly from CiteXplore and partly
from an automated harvesting procedure. Note that this is likely to be
only a partial list as not all journals are covered by
either method. However, we are continually building up the citation data
so more and more references will be included with time.
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Links
