Structure of PDB 4bnt Chain B

Receptor sequence
>4bntB (length=230) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence]
SMSLQGKVALVTGASRGIGQAIALELGRLGAVVIGTATSASGAEKIAETL
KANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAEWFDVVNTN
LNSLYRLSKAVLRGMTKARWGRIINIGSVVNAGQTNYAAAKAGLEGFTRA
LAREVGSRAITVNAVAPGFIDTDMTRELPEAQREALLGQIPLGRLGQAEE
IAKVVGFLASDGAAYVTGATVPVNGGMYMS
3D structure
PDB4bnt Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
ChainB
Resolution2.3 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G16 S141 Y154 K158
Catalytic site (residue number reindexed from 1) G17 S128 Y137 K141
Enzyme Commision number 1.1.1.100: 3-oxoacyl-[acyl-carrier-protein] reductase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 36E B F107 N111 L114 F94 N98 L101 MOAD: ic50=137.69uM
PDBbind-CN: -logKd/Ki=3.86,IC50=137.69uM
Gene Ontology
Molecular Function
GO:0004316 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0030497 fatty acid elongation

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4bnt, PDBe:4bnt, PDBj:4bnt
PDBsum4bnt
PubMed24015914
UniProtO54438|FABG_PSEAE 3-oxoacyl-[acyl-carrier-protein] reductase FabG (Gene Name=fabG)

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