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PDBsum entry 4nmh
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Oxidoreductase/oxidoreductase inhibitor
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PDB id
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4nmh
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PDB id:
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| Name: |
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Oxidoreductase/oxidoreductase inhibitor
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Title:
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11-beta-hsd1 in complex with a 3,3-di-methyl-azetidin-2-one
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Structure:
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Corticosteroid 11-beta-dehydrogenase isozyme 1. Chain: a, b, c, d. Synonym: 11-beta-hydroxysteroid dehydrogenase 1, 11-dh, 11-beta-hsd1, 11beta-hsd1a. Engineered: yes. Mutation: yes
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Source:
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Mus musculus. Mouse. Organism_taxid: 10090. Gene: hsd11b1, hsd11. Expressed in: escherichia coli. Expression_system_taxid: 562
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Resolution:
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2.90Å
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R-factor:
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0.201
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R-free:
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0.251
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Authors:
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W.Mccoull,M.Augustin,C.Blake,A.Ertan,E.K.Kilgour,S.Krapp,J.E.Moore, N.J.Newcombe,M.J.Packer,A.Rees,J.Revill,J.S.Scott,N.Selmi, S.Gerhardt,D.J.Ogg,S.Steinbacher,P.R.O.Whittamore
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Key ref:
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W.Mccoull
et al.
Identification and optimisation of 3,3-Dimethyl-Azetidin-2-Ones as potent and selective inhibitors of 11 beta-Hydroxysteroid dehydrogenase ty (11-Beta-Hsd1).
To be published,
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Date:
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15-Nov-13
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Release date:
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26-Mar-14
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PROCHECK
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Headers
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References
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P50172
(DHI1_MOUSE) -
11-beta-hydroxysteroid dehydrogenase 1 from Mus musculus
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Seq:
Struc:
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292 a.a.
265 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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*
PDB and UniProt seqs differ
at 3 residue positions (black
crosses)
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Enzyme class 1:
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E.C.1.1.1.146
- 11beta-hydroxysteroid dehydrogenase.
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Reaction:
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an 11beta-hydroxysteroid + NADP+ = an 11-oxosteroid + NADPH + H+
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11beta-hydroxysteroid
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+
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NADP(+)
Bound ligand (Het Group name = )
corresponds exactly
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=
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11-oxosteroid
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+
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NADPH
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+
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H(+)
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Enzyme class 2:
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E.C.1.1.1.201
- 7beta-hydroxysteroid dehydrogenase (NADP(+)).
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Reaction:
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a 7beta-hydroxysteroid + NADP+ = a 7-oxosteroid + NADPH + H+
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7beta-hydroxysteroid
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+
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NADP(+)
Bound ligand (Het Group name = )
corresponds exactly
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=
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7-oxosteroid
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+
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NADPH
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+
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H(+)
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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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Links
