Structure of PDB 2aq7 Chain A

Receptor sequence
>2aq7A (length=404) Species: 562 (Escherichia coli) [Search protein sequence]
MKRAVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMRSHVWG
NVKLDTTGLIDRKVVRFMSDASIYAFLSMEQAIADAGLSPEAYQNNPRVG
LIAGSGGGSPRFQVFGADAMRGPRGLKAVGPYVVTKAMASGVSACLATPF
KIHGVNYSISSACATSAHCIGNAVEQIQLGKQDIVFAGGGEELCWEMACE
FDAMGALSTKYNDTPEKASRTYDAHRDGFVIAGGGGMVVVEELEHALARG
AHIYAEIVGYGATSDGADMVAPSGEGAVRCMKMAMHGVDTPIDYLNSHGT
STPVGDVKELAAIREVFGDKSPAISATKAMTGHSLGAAGVQEAIYSLLML
EHGFIAPSINIEELDEQAAGLNIVTETTDRELTTVMSNSFGFGGTNATLV
MRKL
3D structure
PDB2aq7 Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
ChainA
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) C163 H298 E309 K328 H333 F390 F392
Catalytic site (residue number reindexed from 1) C163 H298 E309 K328 H333 F390 F392
Enzyme Commision number 2.3.1.41: beta-ketoacyl-[acyl-carrier-protein] synthase I.
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 TL5 A C163 F229 D268 M269 V270 A271 P272 H298 T300 H333 F390 G391 F392 G394 C163 F229 D268 M269 V270 A271 P272 H298 T300 H333 F390 G391 F392 G394 MOAD: ic50=500uM
PDBbind-CN: -logKd/Ki=3.30,IC50=500uM
Gene Ontology
Molecular Function
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0044281 small molecule metabolic process
GO:1903966 monounsaturated fatty acid biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2aq7, PDBe:2aq7, PDBj:2aq7
PDBsum2aq7
PubMed16392800
UniProtP0A953|FABB_ECOLI 3-oxoacyl-[acyl-carrier-protein] synthase 1 (Gene Name=fabB)

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