PDB entry 3n76
View 3n76 on RCSB PDB site
Description: Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with compound 5
Class: lyase/lyase inhibitor
Keywords: dehydroquinate dehydratase, aroD, shikimate pathway, drug discovery, mycobacterium tuberculosis, LYASE, LYASE-LYASE INHIBITOR complex
Deposited on
2010-05-26, released
2011-05-11
The last revision prior to the SCOPe 2.04 freeze date was dated
2012-02-29, with a file datestamp of
2012-02-24.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.178
AEROSPACI score: 0.47
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: 3-dehydroquinate dehydratase
Species: Mycobacterium tuberculosis [TaxId:1773]
Gene: aroD, aroQ, MT2612, MTCY159.19, Rv2537c
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.04: d3n76a_ - Heterogens: CA2, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3n76A (A:)
mselivnvingpnlgrlgrrepavyggtthdelvaliereaaelglkavvrqsdseaqll
dwihqaadaaepvilnagglthtsvalrdacaelsaplievhisnvhareefrrhsylsp
iatgvivglgiqgyllalrylaehvgt
Sequence, based on observed residues (ATOM records): (download)
>3n76A (A:)
elivnvingpnlgrlgrrepavyggtthdelvaliereaaelglkavvrqsdseaqlldw
ihqaadaaepvilnagglthtsvalrdacaelsaplievhisnvhareefrrhsylspia
tgvivglgiqgyllalrylaehv