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PDBsum entry 2eu2
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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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Human carbonic anhydrase ii in complex with novel inhibitors
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Structure:
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Carbonic anhydrase 2. Chain: a. Synonym: carbonic anhydrase ii, carbonate dehydratase ii, ca-ii, carbonic anhydrasE C. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: ca2. Expressed in: escherichia coli bl21. Expression_system_taxid: 511693.
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Resolution:
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1.15Å
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R-factor:
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not given
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Authors:
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S.Z.Fisher,L.Govindasamy,N.Boyle,M.Agbandje-Mckenna,D.N.Silverman, G.M.Blackburn,R.Mckenna
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Key ref:
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S.Z.Fisher
et al.
(2006).
X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes.
Acta Crystallograph Sect F Struct Biol Cryst Commun,
62,
618-622.
PubMed id:
DOI:
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Date:
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28-Oct-05
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Release date:
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11-Jul-06
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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:
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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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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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DOI no:
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Acta Crystallograph Sect F Struct Biol Cryst Commun
62:618-622
(2006)
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PubMed id:
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X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes.
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S.Z.Fisher,
L.Govindasamy,
N.Boyle,
M.Agbandje-McKenna,
D.N.Silverman,
G.M.Blackburn,
R.McKenna.
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ABSTRACT
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Human carbonic anhydrases (CAs) are well studied targets for the development of
inhibitors for pharmaceutical applications. The crystal structure of human CA II
has been determined in complex with two CA inhibitors (CAIs) containing
conventional sulfonamide and thiadiazole moieties separated by a -CF2- or
-CHNH2- spacer group. The structures presented here reveal that these spacer
groups allow novel binding modes for the thiadiazole moiety compared with
conventional CAIs.
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Selected figure(s)
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Figure 2.
Figure 2 Interactions between HCA II and inhibitors. (a) BB3,
(b) TDM. Hydrogen bonds are indicated by dashed red lines
(distances given in Å), side chains are as labeled and the
Zn atom is shown as a black sphere. Figures were generated and
rendered with BobScript and Raster3D, respectively (Esnouf,
1999[Esnouf, R. M. (1999). Acta Cryst. D55, 938-940.]; Merritt &
Bacon, 1997[Merritt, E. A. & Bacon, D. J. (1997). Methods
Enzymol. 277, 505-524.]).
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The above figure is
reprinted
from an Open Access publication published by the IUCr:
Acta Crystallograph Sect F Struct Biol Cryst Commun
(2006,
62,
618-622)
copyright 2006.
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Figure was
selected
by the author.
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Links
