PDB entry 2aq7

View 2aq7 on RCSB PDB site
Description: Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli
Class: Transferase
Keywords: FabB-ligand active-site complex, Transferase
Deposited on 2005-08-17, released 2006-01-17
The last revision prior to the SCOPe 2.08 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.184
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase I
    Species: Escherichia coli [TaxId:562]
    Gene: fabB, fabC
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2aq7a1, d2aq7a2
  • Chain 'B':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase I
    Species: Escherichia coli [TaxId:562]
    Gene: fabB, fabC
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2aq7b1, d2aq7b2
  • Chain 'C':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase I
    Species: Escherichia coli [TaxId:562]
    Gene: fabB, fabC
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2aq7c1, d2aq7c2
  • Chain 'D':
    Compound: 3-oxoacyl-[acyl-carrier-protein] synthase I
    Species: Escherichia coli [TaxId:562]
    Gene: fabB, fabC
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2aq7d1, d2aq7d2
  • Heterogens: TL5, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2aq7A (A:)
mkravitglgivssignnqqevlaslregrsgitfsqelkdsgmrshvwgnvkldttgli
drkvvrfmsdasiyaflsmeqaiadaglspeayqnnprvgliagsgggsprfqvfgadam
rgprglkavgpyvvtkamasgvsaclatpfkihgvnysissacatsahcignaveqiqlg
kqdivfagggeelcwemacefdamgalstkyndtpekasrtydahrdgfviaggggmvvv
eelehalargahiyaeivgygatsdgadmvapsgegavrcmkmamhgvdtpidylnshgt
stpvgdvkelaairevfgdkspaisatkamtghslgaagvqeaiysllmlehgfiapsin
ieeldeqaaglnivtettdrelttvmsnsfgfggtnatlvmrklkd

    Sequence, based on observed residues (ATOM records): (download) 
    >2aq7A (A:)
mkravitglgivssignnqqevlaslregrsgitfsqelkdsgmrshvwgnvkldttgli
drkvvrfmsdasiyaflsmeqaiadaglspeayqnnprvgliagsgggsprfqvfgadam
rgprglkavgpyvvtkamasgvsaclatpfkihgvnysissacatsahcignaveqiqlg
kqdivfagggeelcwemacefdamgalstkyndtpekasrtydahrdgfviaggggmvvv
eelehalargahiyaeivgygatsdgadmvapsgegavrcmkmamhgvdtpidylnshgt
stpvgdvkelaairevfgdkspaisatkamtghslgaagvqeaiysllmlehgfiapsin
ieeldeqaaglnivtettdrelttvmsnsfgfggtnatlvmrkl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >2aq7B (B:)
mkravitglgivssignnqqevlaslregrsgitfsqelkdsgmrshvwgnvkldttgli
drkvvrfmsdasiyaflsmeqaiadaglspeayqnnprvgliagsgggsprfqvfgadam
rgprglkavgpyvvtkamasgvsaclatpfkihgvnysissacatsahcignaveqiqlg
kqdivfagggeelcwemacefdamgalstkyndtpekasrtydahrdgfviaggggmvvv
eelehalargahiyaeivgygatsdgadmvapsgegavrcmkmamhgvdtpidylnshgt
stpvgdvkelaairevfgdkspaisatkamtghslgaagvqeaiysllmlehgfiapsin
ieeldeqaaglnivtettdrelttvmsnsfgfggtnatlvmrklkd

    Sequence, based on observed residues (ATOM records): (download) 
    >2aq7B (B:)
kravitglgivssignnqqevlaslregrsgitfsqelkdsgmrshvwgnvkldttglid
rkvvrfmsdasiyaflsmeqaiadaglspeayqnnprvgliagsgggsprfqvfgadamr
gprglkavgpyvvtkamasgvsaclatpfkihgvnysissacatsahcignaveqiqlgk
qdivfagggeelcwemacefdamgalstkyndtpekasrtydahrdgfviaggggmvvve
elehalargahiyaeivgygatsdgadmvapsgegavrcmkmamhgvdtpidylnshgts
tpvgdvkelaairevfgdkspaisatkamtghslgaagvqeaiysllmlehgfiapsini
eeldeqaaglnivtettdrelttvmsnsfgfggtnatlvmrkl

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >2aq7C (C:)
mkravitglgivssignnqqevlaslregrsgitfsqelkdsgmrshvwgnvkldttgli
drkvvrfmsdasiyaflsmeqaiadaglspeayqnnprvgliagsgggsprfqvfgadam
rgprglkavgpyvvtkamasgvsaclatpfkihgvnysissacatsahcignaveqiqlg
kqdivfagggeelcwemacefdamgalstkyndtpekasrtydahrdgfviaggggmvvv
eelehalargahiyaeivgygatsdgadmvapsgegavrcmkmamhgvdtpidylnshgt
stpvgdvkelaairevfgdkspaisatkamtghslgaagvqeaiysllmlehgfiapsin
ieeldeqaaglnivtettdrelttvmsnsfgfggtnatlvmrklkd

    Sequence, based on observed residues (ATOM records): (download) 
    >2aq7C (C:)
kravitglgivssignnqqevlaslregrsgitfsqelkdsgmrshvwgnvkldttglid
rkvvrfmsdasiyaflsmeqaiadaglspeayqnnprvgliagsgggsprfqvfgadamr
gprglkavgpyvvtkamasgvsaclatpfkihgvnysissacatsahcignaveqiqlgk
qdivfagggeelcwemacefdamgalstkyndtpekasrtydahrdgfviaggggmvvve
elehalargahiyaeivgygatsdgadmvapsgegavrcmkmamhgvdtpidylnshgts
tpvgdvkelaairevfgdkspaisatkamtghslgaagvqeaiysllmlehgfiapsini
eeldeqaaglnivtettdrelttvmsnsfgfggtnatlvmrkl

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >2aq7D (D:)
mkravitglgivssignnqqevlaslregrsgitfsqelkdsgmrshvwgnvkldttgli
drkvvrfmsdasiyaflsmeqaiadaglspeayqnnprvgliagsgggsprfqvfgadam
rgprglkavgpyvvtkamasgvsaclatpfkihgvnysissacatsahcignaveqiqlg
kqdivfagggeelcwemacefdamgalstkyndtpekasrtydahrdgfviaggggmvvv
eelehalargahiyaeivgygatsdgadmvapsgegavrcmkmamhgvdtpidylnshgt
stpvgdvkelaairevfgdkspaisatkamtghslgaagvqeaiysllmlehgfiapsin
ieeldeqaaglnivtettdrelttvmsnsfgfggtnatlvmrklkd

    Sequence, based on observed residues (ATOM records): (download) 
    >2aq7D (D:)
kravitglgivssignnqqevlaslregrsgitfsqelkdsgmrshvwgnvkldttglid
rkvvrfmsdasiyaflsmeqaiadaglspeayqnnprvgliagsgggsprfqvfgadamr
gprglkavgpyvvtkamasgvsaclatpfkihgvnysissacatsahcignaveqiqlgk
qdivfagggeelcwemacefdamgalstkyndtpekasrtydahrdgfviaggggmvvve
elehalargahiyaeivgygatsdgadmvapsgegavrcmkmamhgvdtpidylnshgts
tpvgdvkelaairevfgdkspaisatkamtghslgaagvqeaiysllmlehgfiapsini
eeldeqaaglnivtettdrelttvmsnsfgfggtnatlvmrkl