PDB entry 3veh

View 3veh on RCSB PDB site
Description: Structure of a M. tuberculosis salicylate synthase, MbtI, in complex with an inhibitor methylAMT
Class: lyase, isomerase
Keywords: Structural Genomics, TB Structural Genomics Consortium, TBSGC, salicylate synthase, lyase, isomerase
Deposited on 2012-01-08, released 2012-06-13
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-02-12, with a file datestamp of 2014-02-07.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.178
AEROSPACI score: 0.37 (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: mbtI, trpE2, Rv2386c, MT2454
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3veha_
  • Chain 'B':
    Compound: Isochorismate synthase/isochorismate-pyruvate lyase mbtI
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: mbtI, trpE2, Rv2386c, MT2454
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7D785 (2-450)
      • expression tag (0-1)
    Domains in SCOPe 2.05: d3vehb_
  • Chain 'C':
    Compound: Isochorismate synthase/isochorismate-pyruvate lyase mbtI
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: mbtI, trpE2, Rv2386c, MT2454
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3vehc_
  • Chain 'D':
    Compound: Isochorismate synthase/isochorismate-pyruvate lyase mbtI
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: mbtI, trpE2, Rv2386c, MT2454
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3vehd_
  • Heterogens: 0GA, SCN, GOL, K, PEG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3vehA (A:)
gsmselsvatgavstasssipmpagvnpadlaaelaavvtesvdedyllyecdgqwvlaa
gvqamveldsdelrvirdgvtrrqqwsgrpgaalgeavdrllletdqafgwvafefgvhr
yglqqrlaphtplarvfsprtrimvsekeirlfdagirhreaidrllatgvrevpqsrsv
dvsddpsgfrrrvavavdeiaagryhkvilsrcvevpfaidfpltyrlgrrhntpvrsfl
lqlggiralgyspelvtavradgvviteplagtralgrgpaidrlarddlesnskeiveh
aisvrssleeitdiaepgsaavidfmtvrergsvqhlgstirarldpssdrmaalealfp
avtasgipkaagveaifrldecprglysgavvmlsadggldaaltlraayqvggrtwlra
gagiieeseperefeetceklstltpylvar

    Sequence, based on observed residues (ATOM records): (download) 
    >3vehA (A:)
sssipmpagvnpadlaaelaavvtesvdedyllyecdgqwvlaagvqamveldsdelrvi
rdgvtrrqqwsgrpgaalgeavdrllletdqafgwvafefgvhryglqqrlaphtplarv
fsprtrimvsekeirlfdagirhreaidrllatgvrevpqsrsvdvsddpsgfrrrvava
vdeiaagryhkvilsrcvevpfaidfpltyrlgrrhntpvrsfllqlggiralgyspelv
tavradgvviteplagtralgrgpaidrlarddlesnskeivehaisvrssleeitdiae
pgsaavidfmtvrergsvqhlgstirarldpssdrmaalealfpavtasgipkaagveai
frldecprglysgavvmlsadggldaaltlraayqvggrtwlragagiieeseperefee
tceklstltpylvar

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3vehB (B:)
gsmselsvatgavstasssipmpagvnpadlaaelaavvtesvdedyllyecdgqwvlaa
gvqamveldsdelrvirdgvtrrqqwsgrpgaalgeavdrllletdqafgwvafefgvhr
yglqqrlaphtplarvfsprtrimvsekeirlfdagirhreaidrllatgvrevpqsrsv
dvsddpsgfrrrvavavdeiaagryhkvilsrcvevpfaidfpltyrlgrrhntpvrsfl
lqlggiralgyspelvtavradgvviteplagtralgrgpaidrlarddlesnskeiveh
aisvrssleeitdiaepgsaavidfmtvrergsvqhlgstirarldpssdrmaalealfp
avtasgipkaagveaifrldecprglysgavvmlsadggldaaltlraayqvggrtwlra
gagiieeseperefeetceklstltpylvar

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3vehC (C:)
gsmselsvatgavstasssipmpagvnpadlaaelaavvtesvdedyllyecdgqwvlaa
gvqamveldsdelrvirdgvtrrqqwsgrpgaalgeavdrllletdqafgwvafefgvhr
yglqqrlaphtplarvfsprtrimvsekeirlfdagirhreaidrllatgvrevpqsrsv
dvsddpsgfrrrvavavdeiaagryhkvilsrcvevpfaidfpltyrlgrrhntpvrsfl
lqlggiralgyspelvtavradgvviteplagtralgrgpaidrlarddlesnskeiveh
aisvrssleeitdiaepgsaavidfmtvrergsvqhlgstirarldpssdrmaalealfp
avtasgipkaagveaifrldecprglysgavvmlsadggldaaltlraayqvggrtwlra
gagiieeseperefeetceklstltpylvar

    Sequence, based on observed residues (ATOM records): (download) 
    >3vehC (C:)
sssipmpagvnpadlaaelaavvtesvdedyllyecdgqwvlaagvqamveldsdelrvi
rdgvtrrqqwsgrpgaalgeavdrllletdqafgwvafefgvhryglqqrlaphtplarv
fsprtrimvsekeirlfdagirhreaidrllatgvrevpqsrsvdvsddpsgfrrrvava
vdeiaagryhkvilsrcvevpfaidfpltyrlgrrhntpvrsfllqlggiralgyspelv
tavradgvviteplagtralgrgpaidrlarddlesnskeivehaisvrssleeitdiae
pgsaavidfmtvrergsvqhlgstirarldpssdrmaalealfpavtasgipkaagveai
frldecprglysgavvmlsadggldaaltlraayqvggrtwlragagiieeseperefee
tceklstltpylvar

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3vehD (D:)
gsmselsvatgavstasssipmpagvnpadlaaelaavvtesvdedyllyecdgqwvlaa
gvqamveldsdelrvirdgvtrrqqwsgrpgaalgeavdrllletdqafgwvafefgvhr
yglqqrlaphtplarvfsprtrimvsekeirlfdagirhreaidrllatgvrevpqsrsv
dvsddpsgfrrrvavavdeiaagryhkvilsrcvevpfaidfpltyrlgrrhntpvrsfl
lqlggiralgyspelvtavradgvviteplagtralgrgpaidrlarddlesnskeiveh
aisvrssleeitdiaepgsaavidfmtvrergsvqhlgstirarldpssdrmaalealfp
avtasgipkaagveaifrldecprglysgavvmlsadggldaaltlraayqvggrtwlra
gagiieeseperefeetceklstltpylvar

    Sequence, based on observed residues (ATOM records): (download) 
    >3vehD (D:)
avstasssipmpagvnpadlaaelaavvtesvdedyllyecdgqwvlaagvqamveldsd
elrvirdgvtrrqqwsgrpgaalgeavdrllletdqafgwvafefgvhryglqqrlapht
plarvfsprtrimvsekeirlfdagirhreaidrllatgvrevpqsrsvdvsddpsgfrr
rvavavdeiaagryhkvilsrcvevpfaidfpltyrlgrrhntpvrsfllqlggiralgy
spelvtavradgvviteplagtralgrgpadrlarddlesnskeivehaisvrssleeit
diaepgsaavidfmtvrergsvqhlgstirarldpssdrmaalealfpavtasgipkaag
veaifrldecprglysgavvmlsadggldaaltlraayqvggrtwlragagiieeseper
efeetceklstltpylvar