Structure of PDB 8gzu Chain v1 Binding Site BS02

Receptor Information
>8gzu 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 IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain8gzu Chain v1 Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8gzu Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Resolution4.18 Å
Binding residue
(original residue number in PDB)		G87 G89 Y205 G208 E209 E210 N245 L428
Binding residue
(residue number reindexed from 1)		G58 G60 Y176 G179 E180 E181 N216 L399
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:8gzu, PDBe:8gzu, PDBj:8gzu
PDBsum8gzu
PubMed37248254
UniProtQ23KE4

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