Structure of PDB 7a23 Chain D Binding Site BS01

Receptor Information
>7a23 Chain D (length=177) Species: 3712 (Brassica oleracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDEEAEQLAKEISKDWSTVFERSMNTLFLTEMVRGLSLTLKYFFDPKVTI
NYPFEKGPLSPRFRGEHALRRYPTGEERCIACKLCEAVCPAQAITIEAEE
REDGSRRTTRYDIDMTKCIYCGFCQEACPVDAIVEGPNFEFATETHEELL
YDKEKLLENGDRWETEIAENLRSESLY
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 chain7a23 Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7a23 Specific features and assembly of the plant mitochondrial complex I revealed by cryo-EM.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		H111 C133 P134 I138 C162 I163 Y164 C165 C168
Binding residue
(residue number reindexed from 1)		H67 C89 P90 I94 C118 I119 Y120 C121 C124
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016491 oxidoreductase activity
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005634 nucleus
GO:0005739 mitochondrion
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7a23, PDBe:7a23, PDBj:7a23
PDBsum7a23
PubMed33060577
UniProtQ9FX83|NDS8B_ARATH NADH dehydrogenase [ubiquinone] iron-sulfur protein 8-B, mitochondrial (Gene Name=At1g16700)

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