Structure of PDB 1afr Chain A Binding Site BS01

Receptor Information

>1afr Chain A (length=345) Species: 3988 (Ricinus communis)

MPPREVHVQVTHSMPPQKIEIFKSLDNWAEENILVHLKPVEKCWQPQDFL
PDPASDGFDEQVRELRERAKEIPDDYFVVLVGDMITEEALPTYQTMLNTL
DGVRDETGASPTSWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMRQIEKT
IQYLIGSGMDPRTENSPYLGFIYTSFQERATFISHGNTARQAKEHGDIKL
AQICGTIAADEKRHETAYTKIVEKLFEIDPDGTVLAFADMMRKKISMPAH
LMYDGRDDNLFDHFSAVAQRLGVYTAKDYADILEFLVGRWKVDKLTGLSA
EGQKAQDYVCRLPPRIRRLEERAQGRAKEAPTMPFSWIFDRQVKL

Ligand information

• Ligand ID: FE2
• InChI: InChI=1S/Fe/q+2
• InChIKey: CWYNVVGOOAEACU-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Fe+2]
  CACTVS 3.341: [Fe++]
• Formula: Fe
• Name: FE (II) ION
• DrugBank: DB14510
• PDB chain: 1afr Chain A Residue 364

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1afr Crystal structure of delta9 stearoyl-acyl carrier protein desaturase from castor seed and its relationship to other di-iron proteins.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): E143 E196 E229 H232
• Binding residue (residue number reindexed from 1): E125 E178 E211 H214
• Annotation score: 1

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

External links

• PDB: RCSB:1afr, PDBe:1afr, PDBj:1afr
• PDBsum: 1afr
• PubMed: 8861937
• UniProt: P22337|STAD_RICCO Stearoyl-[acyl-carrier-protein] 9-desaturase, chloroplastic