PDB entry 4bnt

View 4bnt on RCSB PDB site
Description: Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-(trifluoromethyl)-1H- benzimidazole 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 2.08 freeze date was dated 2018-01-17, with a file datestamp of 2018-01-12.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.25 (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 (22-268)
      • expression tag (19-21)
    Domains in SCOPe 2.08: d4bnta1, d4bnta2
  • Chain 'B':
    Compound: 3-oxoacyl-[acyl-carrier-protein] reductase FabG
    Species: PSEUDOMONAS AERUGINOSA [TaxId:208964]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54438 (22-268)
      • expression tag (21)
    Domains in SCOPe 2.08: d4bntb1, d4bntb2
  • Chain 'C':
    Compound: 3-oxoacyl-[acyl-carrier-protein] reductase FabG
    Species: PSEUDOMONAS AERUGINOSA [TaxId:208964]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54438 (22-268)
      • expression tag (17-21)
    Domains in SCOPe 2.08: d4bntc1, d4bntc2
  • 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 (17-21)
    Domains in SCOPe 2.08: d4bntd1, d4bntd2
  • Heterogens: 36E, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4bntA (A:)
fqsmslqgkvalvtgasrgigqaialelgrlgavvigtatsasgaekiaetlkangvega
glvldvssdesvaatlehiqqhlgqplivvnnamkddewfdvvntnlnslyrlskavlrg
mtkarwgriinigsvvgamgnagqtnyaaakaglegftralarevgsraitvnavapgfi
dtdmtrelpeaqreallgqiplgrlgqaeeiakvvgflasdgaayvtgatvpvnggmyms

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4bntB (B:)
smslqgkvalvtgasrgigqaialelgrlgavvigtatsasgaekiaetlkangvegagl
vldvssdesvaatlehiqqhlgqplivvnnaewfdvvntnlnslyrlskavlrgmtkarw
griinigsvvnagqtnyaaakaglegftralarevgsraitvnavapgfidtdmtrelpe
aqreallgqiplgrlgqaeeiakvvgflasdgaayvtgatvpvnggmyms

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4bntC (C:)
lyfqsmslqgkvalvtgasrgigqaialelgrlgavvigtatsasgaekiaetlkangve
gaglvldvssdesvaatlehiqqhlgqplivvnnadewfdvvntnlnslyrlskavlrgm
tkarwgriinigsvvnagqtnyaaakaglegftralarevgsraitvnavapgfidtdmt
relpeaqreallgqiplgrlgqaeeiakvvgflasdgaayvtgatvpvnggmyms

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4bntD (D:)
lyfqsmslqgkvalvtgasrgigqaialelgrlgavvigtatsasgaekiaetlkangve
gaglvldvssdesvaatlehiqqhlgqplivvnnamkddewfdvvntnlnslyrlskavl
rgmtkarwgriinigsvvgamgnagqtnyaaakaglegftralarevgsraitvnavapg
fidtdmtrelpeaqreallgqiplgrlgqaeeiakvvgflasdgaayvtgatvpvnggmy
ms