Structure of PDB 8gym Chain v1 Binding Site BS01

Receptor Information
>8gym Chain v1 (length=442) Species: 312017 (Tetrahymena thermophila SB210) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSYGNLKDQDRIFTNLYRDGDPFVKGALKRGDWHQTKEILSNGPEWIIDE
IKKSGLRGRGGAGFLSGLKYSFMPKVNPDGRPSYLVINSDESEPGTCKDR
EILRNDPHKLVEGALVVGFSMRARAAYIYIRGEFWVEANILQQAIDEAYA
KGFIGKNACGSGYDFDVYIHRGAGAYICGEETGLIESIEGKAGQPRVKPP
FPANAGLYGCPTTVTNVETVAVCPTIMRRGASWFASFGRPNNAGTKLYCI
SGHVNNPCTVEEEMSIPLRELLEKHCGGVRGGWDNLLAVIPGGSSVPMMP
KNVCDDVLMDFDALKAVGSGLGTAAVIVMDKSTDPIDAILRLSKFYKHES
CGQCTPCREGTGWIVDVMERLLVGNADYAEIDMLQQVTQQIEMHTICALG
DAAAWPVQGLIKNFREEIEDRIDSYHAKHPQLKKSRKSNPQI
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 chain8gym Chain v1 Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8gym Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Resolution2.96 Å
Binding residue
(original residue number in PDB)		I206 P224 C380 G381 Q382 C383 C386 T424 C426 L428 G429
Binding residue
(residue number reindexed from 1)		I177 P195 C351 G352 Q353 C354 C357 T395 C397 L399 G400
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:0010181 FMN binding
GO:0046872 metal ion binding
GO:0051287 NAD binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045271 respiratory chain complex I

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8gym, PDBe:8gym, PDBj:8gym
PDBsum8gym
PubMed37248254
UniProtQ23KE4

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