Structure of PDB 7wg5 Chain I Binding Site BS02

Receptor Information
>7wg5 Chain I (length=160) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGFMNYGQQTLRAARYIGQGFMITLSHTNRLPVTIQYPYTSERFRGRIHF
EFDKCIACEVCVRVCPIDLPVVDWKLETNIRKKRLLNYSIDFGICIFCGN
CVEYCPTNCLSMTEEYEFSTYDRHELNYNQIALGRLPMSVIDDYTIRTIW
NSPQTKNGVN
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 chain7wg5 Chain I Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wg5 Supramolecular assembly of chloroplast NADH dehydrogenase-like complex with photosystem I from Arabidopsis thaliana.
Resolution3.89 Å
Binding residue
(original residue number in PDB)		C64 I65 A66 C67 E68 V69 C114 T116
Binding residue
(residue number reindexed from 1)		C55 I56 A57 C58 E59 V60 C105 T107
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0003959 NADPH dehydrogenase activity
GO:0005506 iron ion binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0016655 oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
GO:0019684 photosynthesis, light reaction
GO:1902600 proton transmembrane transport
Cellular Component
GO:0009507 chloroplast
GO:0009535 chloroplast thylakoid membrane
GO:0009536 plastid
GO:0009579 thylakoid
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7wg5, PDBe:7wg5, PDBj:7wg5
PDBsum7wg5
PubMed35123031
UniProtP56755|NDHI_ARATH NAD(P)H-quinone oxidoreductase subunit I, chloroplastic (Gene Name=ndhI)

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