PDB entry 3rv6

View 3rv6 on RCSB PDB site
Description: Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Phenyl R-Group
Class: isomerase/isomerase inhibitor
Keywords: Structural Genomics, TB Structural Genomics Consortium, TBSGC, salicylate synthase, chorismate binding, ISOMERASE-ISOMERASE INHIBITOR complex
Deposited on 2011-05-06, released 2012-05-09
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-06-19, with a file datestamp of 2013-06-14.
Experiment type: XRAY
Resolution: 2.04 Å
R-factor: 0.172
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Isochorismate synthase/isochorismate-pyruvate lyase mbtI
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: Rv2386c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3rv6a_
  • Chain 'B':
    Compound: Isochorismate synthase/isochorismate-pyruvate lyase mbtI
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: Rv2386c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3rv6b_
  • Heterogens: VAE, MG, SO4, RVA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3rv6A (A:)
vselsvatgavstasssipmpagvnpadlaaelaavvtesvdedyllyecdgqwvlaagv
qamveldsdelrvirdgvtrrqqwsgrpgaalgeavdrllletdqafgwvafefgvhryg
lqqrlaphtplarvfsprtrimvsekeirlfdagirhreaidrllatgvrevpqsrsvdv
sddpsgfrrrvavavdeiaagryhkvilsrcvevpfaidfpltyrlgrrhntpvrsfllq
lggiralgyspelvtavradgvviteplagtralgrgpaidrlarddlesnskeivehai
svrssleeitdiaepgsaavidfmtvrergsvqhlgstirarldpssdrmaalealfpav
tasgipkaagveaifrldecprglysgavvmlsadggldaaltlraayqvggrtwlraga
giieeseperefeetceklstltpylvarq

    Sequence, based on observed residues (ATOM records): (download) 
    >3rv6A (A:)
sssipmpagvnpadlaaelaavvtesvdedyllyecdgqwvlaagvqamveldsdelrvi
rdgvtrrqqwsgrpgaalgeavdrllletdqafgwvafefgvhryglqqrlaphtplarv
fsprtrimvsekeirlfdagirhreaidrllatgvrevpqsrsvdvsddpsgfrrrvava
vdeiaagryhkvilsrcvevpfaidfpltyrlgrrhntpvrsfllqlggiralgyspelv
tavradgvviteplagtraddlesnskeivehaisvrssleeitdiaepgsaavidfmtv
rlgstirarldpssdrmaalealfpavtasgipkaagveaifrldecprglysgavvmls
adggldaaltlraayqvggrtwlragagiieeseperefeetceklstltpylvarq

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3rv6B (B:)
vselsvatgavstasssipmpagvnpadlaaelaavvtesvdedyllyecdgqwvlaagv
qamveldsdelrvirdgvtrrqqwsgrpgaalgeavdrllletdqafgwvafefgvhryg
lqqrlaphtplarvfsprtrimvsekeirlfdagirhreaidrllatgvrevpqsrsvdv
sddpsgfrrrvavavdeiaagryhkvilsrcvevpfaidfpltyrlgrrhntpvrsfllq
lggiralgyspelvtavradgvviteplagtralgrgpaidrlarddlesnskeivehai
svrssleeitdiaepgsaavidfmtvrergsvqhlgstirarldpssdrmaalealfpav
tasgipkaagveaifrldecprglysgavvmlsadggldaaltlraayqvggrtwlraga
giieeseperefeetceklstltpylvarq

    Sequence, based on observed residues (ATOM records): (download) 
    >3rv6B (B:)
sssipmpagvnpadlaaelaavvtesvdedyllyecdgqwvlaagvqamveldsdelrvi
rdgvtrrqqwsgrpgaalgeavdrllletdqafgwvafefgvhryglqqrlaphtplarv
fsprtrimvsekeirlfdagirhreaidrllatgvrevpqsrsvdvsddpsgfrrrvava
vdeiaagryhkvilsrcvevpfaidfpltyrlgrrhntpvrsfllqlggiralgyspelv
tavradgvviteplagsnskeivehaisvrssleeitdiaepgsaavidfmtvreqhlgs
tirarldpssdrmaalealfpavtasgipkaagveaifrldecprglysgavvmlsadgg
ldaaltlraayqvggrtwlragagiieeseperefeetceklstltpylvarq