PDB entry 3t8a

View 3t8a on RCSB PDB site
Description: Crystal structure of Mycobacterium tuberculosis MenB in complex with substrate analogue, OSB-NCoA
Class: lyase/lyase inhibitor
Keywords: crotonase superfamily, LYASE-LYASE INHIBITOR complex
Deposited on 2011-08-01, released 2011-08-24
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-08, with a file datestamp of 2017-11-03.
Experiment type: XRAY
Resolution: 2.25 Å
R-factor: N/A
AEROSPACI score: 0.25 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: Rv0548c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3t8aa_
  • Chain 'B':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: Rv0548c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3t8ab_
  • Chain 'C':
    Compound: 1,4-Dihydroxy-2-naphthoyl-CoA synthase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: Rv0548c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3t8ac_
  • Heterogens: S0N, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3t8aA (A:)
mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
eatrlaymtdeavegrdaflqkrppdwspfpryf

    Sequence, based on observed residues (ATOM records): (download) 
    >3t8aA (A:)
dnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvldha
rmspdvgvvlltgngpspkdggwafcsggdrlhilevqrlirfmpkvviclvngwaaggg
hslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtytae
qmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfagea
trlaymtdeaveg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3t8aB (B:)
mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
eatrlaymtdeavegrdaflqkrppdwspfpryf

    Sequence, based on observed residues (ATOM records): (download) 
    >3t8aB (B:)
lsdnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvld
harmspdvgvvlltgngpspkdggwafcsggdqrrlhilevqrlirfmpkvviclvngwa
aggghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrt
ytaeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlf
ageatrlaymtdeavegrdaflrppdwspfpryf

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3t8aC (C:)
mgsshhhhhhssglvprgshmvapageqgrsstalsdnpfdakawrlvdgfddltdityh
rhvddatvrvafnrpevrnafrphtvdelyrvldharmspdvgvvlltgngpspkdggwa
fcsggdqrirgrsgyqyasgdtadtvdvaragrlhilevqrlirfmpkvviclvngwaag
gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
eatrlaymtdeavegrdaflqkrppdwspfpryf

    Sequence, based on observed residues (ATOM records): (download) 
    >3t8aC (C:)
sdnpfdakawrlvdgfddltdityhrhvddatvrvafnrpevrnafrphtvdelyrvldh
armspdvgvvlltgngpspkdggwafcsggdqrlhilevqrlirfmpkvviclvngwaag
gghslhvvcdltlasreyarfkqtdadvgsfdggygsaylarqvgqkfareifflgrtyt
aeqmhqmgavnavaehaeletvglqwaaeinakspqaqrmlkfafnllddglvgqqlfag
eatrlaymtd