Structure of PDB 2j2f Chain A Binding Site BS02

Receptor Information
>2j2f Chain A (length=348) Species: 3988 (Ricinus communis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPFMPPREVHVQVTHSMPPQKIEIFKSLDNWAEENILVHLKPVEKCWQPQ
DFLPDPASDGFDEQVRELRERAKEIPDDYFVVLVGDMITEEALPTYQTML
NTLDGVRDETGASPTSWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMRQI
EKTIQYLIGSGMDPRTENSPYLGFIYTSFQERADFISHGNTARQAKEHGD
IKLAQICGTIAADEKRHETAYTKIVEKLFEIDPDGTVLAFADMMRKKISM
PAHLMYDGRDDNLFDHFSAVAQRLGVYTAKDYADILEFLVGRWKVDKLTG
LSAEGQKAQDYVCRLPPRIRRLEERAQGRAKEAPTMPFSWIFDRQVKL
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain2j2f Chain A Residue 371 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2j2f A Single Mutation in the Castor {Delta}9-18:0- Desaturase Changes Reaction Partitioning from Desaturation to Oxidase Chemistry.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		E143 E196 E229 H232
Binding residue
(residue number reindexed from 1)		E128 E181 E214 H217
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W62 E105 E143 H146 E196 D199 D228 E229 H232
Catalytic site (residue number reindexed from 1) W47 E90 E128 H131 E181 D184 D213 E214 H217
Enzyme Commision number 1.14.19.2: stearoyl-[acyl-carrier-protein] 9-desaturase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0045300 stearoyl-[ACP] desaturase activity
GO:0046872 metal ion binding
Biological Process
GO:0006631 fatty acid metabolic process
GO:0006633 fatty acid biosynthetic process
Cellular Component
GO:0009507 chloroplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2j2f, PDBe:2j2f, PDBj:2j2f
PDBsum2j2f
PubMed17088542
UniProtP22337|STAD_RICCO Stearoyl-[acyl-carrier-protein] 9-desaturase, chloroplastic

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