Structure of PDB 6kvs Chain A Binding Site BS01

Receptor Information
>6kvs Chain A (length=313) Species: 418127 (Staphylococcus aureus subsp. aureus Mu3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNVGIKGFGAYAPEKIIDNAYFEQFLDTSDEWISKMTGIKERHWADDDQD
TSDLAYEASVKAIADAGIQPEDIDMIIVATATGDMPFPTVANMLQERLGT
GKVASMDQLAACSGFMYSMITAKQYVQSGDYHNILVVGADKLSKITDLTD
RSTAVLFGDGAGAVIIGEVSEGRGIISYEMGSDGTGGKHLYLDKDTGKLK
MNGREVFKFAVRIMGDASTRVVEKANLTSDDIDLFIPHQANIRIMESARE
RLGISKDKMSVSVNKYGNTSAASIPLSIDQELKNGKLKDDDTIVLVGFGG
GLTWGAMTIKWGK
Ligand information
Ligand IDOAX
InChIInChI=1S/C13H15ClN2O2/c14-12-5-3-11(4-6-12)13(18)15-8-16(9-17)7-10-1-2-10/h3-6,9-10H,1-2,7-8H2,(H,15,18)
InChIKeyZKBKHQJPIDEDKI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1ccc(cc1)C(=O)NCN(CC2CC2)C=O
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)NCN(CC2CC2)C=O)Cl
FormulaC13 H15 Cl N2 O2
Name4-chloranyl-N-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide
ChEMBL
DrugBank
ZINC
PDB chain6kvs Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6kvs Crystal Structure of S. aureus FabH, beta-ketoacyl carrier protein synthase
Resolution2.3 Å
Binding residue
(original residue number in PDB)		A424 C425 F470 L503 M514 V519 A553 N581 F611 G612
Binding residue
(residue number reindexed from 1)		A111 C112 F157 L190 M201 V206 A240 N268 F298 G299
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.180: beta-ketoacyl-[acyl-carrier-protein] synthase III.
Gene Ontology
Molecular Function
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016746 acyltransferase activity
GO:0033818 beta-ketoacyl-acyl-carrier-protein synthase III activity
Biological Process
GO:0006633 fatty acid biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6kvs, PDBe:6kvs, PDBj:6kvs
PDBsum6kvs
PubMed
UniProtA7X0K2|FABH_STAA1 Beta-ketoacyl-[acyl-carrier-protein] synthase III (Gene Name=fabH)

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