PDB entry 4bnx

View 4bnx on RCSB PDB site
Description: Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 6-(4-(2-chloroanilino)- 1H-quinazolin-2-ylidene)cyclohexa-2, 4-dien-1-one at 2.3A resolution
Class: oxidoreductase
Keywords: oxidoreductase, rossmann fold, fatty acid biosynthesis
Deposited on 2013-05-17, released 2013-09-18
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-11-27, with a file datestamp of 2013-11-22.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.21483
AEROSPACI score: 0.28 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3-oxoacyl-[acyl-carrier-protein] reductase FabG
    Species: PSEUDOMONAS AERUGINOSA [TaxId:208964]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54438 (22-End)
      • expression tag (20-21)
    Domains in SCOPe 2.03: d4bnxa_
  • Chain 'B':
    Compound: 3-oxoacyl-[acyl-carrier-protein] reductase FabG
    Species: PSEUDOMONAS AERUGINOSA [TaxId:208964]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54438 (22-End)
      • expression tag (17-21)
    Domains in SCOPe 2.03: d4bnxb_
  • Chain 'C':
    Compound: 3-oxoacyl-[acyl-carrier-protein] reductase FabG
    Species: PSEUDOMONAS AERUGINOSA [TaxId:208964]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54438 (22-End)
      • expression tag (15-21)
    Domains in SCOPe 2.03: d4bnxc_
  • Chain 'D':
    Compound: 3-oxoacyl-[acyl-carrier-protein] reductase FabG
    Species: PSEUDOMONAS AERUGINOSA [TaxId:208964]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54438 (22-268)
      • expression tag (21)
    Domains in SCOPe 2.03: d4bnxd_
  • Heterogens: O74, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4bnxA (A:)
mhhhhhhssgvdlgtenlyfqsmslqgkvalvtgasrgigqaialelgrlgavvigtats
asgaekiaetlkangvegaglvldvssdesvaatlehiqqhlgqplivvnnagitrdnll
vrmkddewfdvvntnlnslyrlskavlrgmtkarwgriinigsvvgamgnagqtnyaaak
aglegftralarevgsraitvnavapgfidtdmtrelpeaqreallgqiplgrlgqaeei
akvvgflasdgaayvtgatvpvnggmyms

    Sequence, based on observed residues (ATOM records): (download) 
    >4bnxA (A:)
qsmslqgkvalvtgasrgigqaialelgrlgavvigtatsasgaekiaetlkangvegag
lvldvssdesvaatlehiqqhlgqplivvnnarmkddewfdvvntnlnslyrlskavlrg
mtkarwgriinigsvvgamgnagqtnyaaakaglegftralarevgsraitvnavapgfi
dtdmtrelpeaqreallgqiplgrlgqaeeiakvvgflasdgaayvtgatvpvnggmym

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4bnxB (B:)
mhhhhhhssgvdlgtenlyfqsmslqgkvalvtgasrgigqaialelgrlgavvigtats
asgaekiaetlkangvegaglvldvssdesvaatlehiqqhlgqplivvnnagitrdnll
vrmkddewfdvvntnlnslyrlskavlrgmtkarwgriinigsvvgamgnagqtnyaaak
aglegftralarevgsraitvnavapgfidtdmtrelpeaqreallgqiplgrlgqaeei
akvvgflasdgaayvtgatvpvnggmyms

    Sequence, based on observed residues (ATOM records): (download) 
    >4bnxB (B:)
lyfqsmslqgkvalvtgasrgigqaialelgrlgavvigtatsasgaekiaetlkangve
gaglvldvssdesvaatlehiqqhlgqplivvnnamkddewfdvvntnlnslyrlskavl
rgmtkarwgriinigsvvgamgnagqtnyaaakaglegftralarevgsraitvnavapg
fidtdmtrelpeaqreallgqiplgrlgqaeeiakvvgflasdgaayvtgatvpvnggmy
m

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4bnxC (C:)
mhhhhhhssgvdlgtenlyfqsmslqgkvalvtgasrgigqaialelgrlgavvigtats
asgaekiaetlkangvegaglvldvssdesvaatlehiqqhlgqplivvnnagitrdnll
vrmkddewfdvvntnlnslyrlskavlrgmtkarwgriinigsvvgamgnagqtnyaaak
aglegftralarevgsraitvnavapgfidtdmtrelpeaqreallgqiplgrlgqaeei
akvvgflasdgaayvtgatvpvnggmyms

    Sequence, based on observed residues (ATOM records): (download) 
    >4bnxC (C:)
enlyfqsmslqgkvalvtgasrgigqaialelgrlgavvigtatsasgaekiaetlkang
vegaglvldvssdesvaatlehiqqhlgqplivvnnakddewfdvvntnlnslyrlskav
lrgmtkarwgriinigsvvgamgnagqtnyaaakaglegftralarevgsraitvnavap
gfidtdmtrelpeaqreallgqiplgrlgqaeeiakvvgflasdgaayvtgatvpvnggm
ym

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4bnxD (D:)
mhhhhhhssgvdlgtenlyfqsmslqgkvalvtgasrgigqaialelgrlgavvigtats
asgaekiaetlkangvegaglvldvssdesvaatlehiqqhlgqplivvnnagitrdnll
vrmkddewfdvvntnlnslyrlskavlrgmtkarwgriinigsvvgamgnagqtnyaaak
aglegftralarevgsraitvnavapgfidtdmtrelpeaqreallgqiplgrlgqaeei
akvvgflasdgaayvtgatvpvnggmyms

    Sequence, based on observed residues (ATOM records): (download) 
    >4bnxD (D:)
smslqgkvalvtgasrgigqaialelgrlgavvigtatsasgaekiaetlkangvegagl
vldvssdesvaatlehiqqhlgqplivvnnagrmkddewfdvvntnlnslyrlskavlrg
mtkarwgriinigsvvgamgnagqtnyaaakaglegftralarevgsraitvnavapgfi
dtdmtrelpeaqreallgqiplgrlgqaeeiakvvgflasdgaayvtgatvpvnggmyms