Structure of PDB 8gym Chain s1 Binding Site BS01

Receptor Information
>8gym Chain s1 (length=689) Species: 312017 (Tetrahymena thermophila SB210) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKQIEIFIDGKPAKVDDSYTIFQACYENGVIVPRFCYHERLSVAGNCRMC
LVEVENVPKPVAACASQVVPGMKIKTKSEKTRIHRGNVMEFLLANHPLDC
PICDQGGECDLQDISSVYGYGISRYNEYKRAVEDKNYGPLVATSMNRCIH
CTRCVRFATQIAGVEDLGKTGRGKAAEIGTYVEKTFNTELSGNVVDVCPV
GALTNAPYAFTSRPWELKSFYTSDVFDTLGSAIQVDTRGPEIMRVLPRIH
EEINEEWISDKTRHAFDGLKRQRINSPMKRSKDGNYEDIFWEEAIQTISK
KCLNTPSDQIGAIIGEFADIESITALKDFLNRLDVDNFEVRQHGNLKVSP
DFRANYLMNSKITGVEDADVLLLVGCNPRYEAPVLNARILKSTRKNLKVF
NIGTNQDLNYKNVHLGNSTKVLKEIADGTHPFAERLKKAKLPMIMVGASA
LEREDGAELYNTLKVISNKTGVISEEKSWNGFNILHKEMGRINALELGIN
PTSVNKNAKLVFILGADNNLRPEDIPADAFVVYFGTHGDEGAYYADIILP
TAAYTEKNATWVNTEGRVQQGRLVVMPPGDAREDWQIIRALSEEAGVPLP
YDSLEELRYRVAELAPHLLKYDYIEPTIFGKVALSAQQGVKTTLSPTPIT
DYIDNFYMTDAISRASVTMAKCSTAFNHEKFSNFKNLAK
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 s1 Residue 801 [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)		H125 C129 C132 Q134 G135 C138 Q141 R176 V229 G230
Binding residue
(residue number reindexed from 1)		H96 C100 C103 Q105 G106 C109 Q112 R147 V200 G201
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
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:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042773 ATP synthesis coupled electron transport
GO:0045333 cellular respiration
GO:1902600 proton transmembrane transport
Cellular Component
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:8gym, PDBe:8gym, PDBj:8gym
PDBsum8gym
PubMed37248254
UniProtQ23KA9

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