Structure of PDB 5dqr Chain F Binding Site BS01

Receptor Information
>5dqr Chain F (length=413) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPIPPGGTYPAKDHCSQCGLCDTYYIAHVKEACAFLGDGMSRIESLEPVV
HGRGRKADSLQDTYFGVHQEQLYARKLKPVEGAQWTGIVTTIAIEMLKSN
MVEAVVCVQSDPEDRLSPRPVLARTPEEVLAARGVKPTLSPNLNTLELIE
ASGVKRLLFCGVGCQVQALRSVEQHLNLEKLYVLGTNCVDNGTRDGLDKF
LKAASKEPETVLHYEFMQDYKVQLKHLDGHIEEVPYFSLPANDLVDVIAP
SCYSCFDYTNALADLVIGYMGVPKYSGLNMTDHPQYITVRNERGKEMLSL
VENLLEITPTISSGDRRPFVTETVKADDAAKFGQGPAQPAPLFVGNIIAF
ILNLVGPKGLEFARYSLDYHTIRNYLYVNRKWGKQRANTHMPSYAKKIVE
MYNKNGQIDKMLS
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5dqr Chain F Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dqr Crystal Structure and Catalytic Mechanism of 7-Hydroxymethyl Chlorophyll a Reductase
Resolution2.7 Å
Binding residue
(original residue number in PDB)		A58 C62 S63 Q64 C65 L67 C68 V76 C80
Binding residue
(residue number reindexed from 1)		A11 C15 S16 Q17 C18 L20 C21 V29 C33
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.7.2: 7-hydroxymethyl chlorophyll a reductase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0090415 7-hydroxymethyl chlorophyll a reductase activity
Biological Process
GO:0015994 chlorophyll metabolic process
GO:0033354 chlorophyll cycle
Cellular Component
GO:0005576 extracellular region
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:5dqr, PDBe:5dqr, PDBj:5dqr
PDBsum5dqr
PubMed27072131
UniProtQ8GS60|HCAR_ARATH 7-hydroxymethyl chlorophyll a reductase, chloroplastic (Gene Name=HCAR)

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