Structure of PDB 4nhd Chain C Binding Site BS02

Receptor Information
>4nhd Chain C (length=317) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMYSKILGTGSYLPSQVRTNADLEKMVETSDEWIVARTGIRERRIAADNE
TVADMAFFAAQNAINMAGIDKHDIDMIIVATTSASHTFPSAACQVQGKLG
IKGCPAFDLAAACSGFMYALSIADQHVKSGMCKHVLVIGADALSKTCDPT
DRSTIILFGDGAGAVVVGASNEPGILSTHIHADGEFGDLLSLEVPVRGGD
SDKWLHMAGNEVFKVAVTQLSKLVVDTLKANNMHKSELDWLVPHQANYRI
ISATAKKLSMSLDQVVITLDRHGNTSAATVPTALDEAVRDGRIQRGQMLL
LEAFGGGFTWGSALVKF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4nhd Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nhd Crystal structure of beta-ketoacyl-ACP synthase III (FabH) from Vibrio Cholerae in complex with Coenzyme A
Resolution1.78 Å
Binding residue
(original residue number in PDB)		D72 D74
Binding residue
(residue number reindexed from 1)		D73 D75
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:4nhd, PDBe:4nhd, PDBj:4nhd
PDBsum4nhd
PubMed
UniProtQ9KQH5|FABH1_VIBCH Beta-ketoacyl-[acyl-carrier-protein] synthase III 1 (Gene Name=fabH1)

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