PDB entry 2aqb

View 2aqb on RCSB PDB site
Description: Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia 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 2.02 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.19 Å
R-factor: 0.196
AEROSPACI score: 0.38 (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 2.02: d2aqba1, d2aqba2
  • 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 2.02: d2aqbb1, d2aqbb2
  • 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 2.02: d2aqbc1, d2aqbc2
  • 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 2.02: d2aqbd1, d2aqbd2
  • Heterogens: TL6, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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