Structure of PDB 1afr Chain E Binding Site BS01

Receptor Information
>1afr Chain E (length=345) Species: 3988 (Ricinus communis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPPREVHVQVTHSMPPQKIEIFKSLDNWAEENILVHLKPVEKCWQPQDFL
PDPASDGFDEQVRELRERAKEIPDDYFVVLVGDMITEEALPTYQTMLNTL
DGVRDETGASPTSWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMRQIEKT
IQYLIGSGMDPRTENSPYLGFIYTSFQERATFISHGNTARQAKEHGDIKL
AQICGTIAADEKRHETAYTKIVEKLFEIDPDGTVLAFADMMRKKISMPAH
LMYDGRDDNLFDHFSAVAQRLGVYTAKDYADILEFLVGRWKVDKLTGLSA
EGQKAQDYVCRLPPRIRRLEERAQGRAKEAPTMPFSWIFDRQVKL
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain1afr Chain E Residue 750 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1afr Crystal structure of delta9 stearoyl-acyl carrier protein desaturase from castor seed and its relationship to other di-iron proteins.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E143 E196 E229 H232
Binding residue
(residue number reindexed from 1)		E125 E178 E211 H214
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W62 E105 E143 H146 E196 T199 D228 E229 H232
Catalytic site (residue number reindexed from 1) W44 E87 E125 H128 E178 T181 D210 E211 H214
Enzyme Commision number 1.14.19.2: stearoyl-[acyl-carrier-protein] 9-desaturase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0045300 stearoyl-[ACP] desaturase activity
Biological Process
GO:0006631 fatty acid metabolic process
GO:0006633 fatty acid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1afr, PDBe:1afr, PDBj:1afr
PDBsum1afr
PubMed8861937
UniProtP22337|STAD_RICCO Stearoyl-[acyl-carrier-protein] 9-desaturase, chloroplastic

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