Structure of PDB 8bqs Chain AD Binding Site BS02

Receptor Information
>8bqs Chain AD (length=441) Species: 312017 (Tetrahymena thermophila SB210) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYGNLKDQDRIFTNLYRDGDPFVKGALKRGDWHQTKEILSNGPEWIIDEI
KKSGLRGRGGAGFLSGLKYSFMPKVNPDGRPSYLVINSDESEPGTCKDRE
ILRNDPHKLVEGALVVGFSMRARAAYIYIRGEFWVEANILQQAIDEAYAK
GFIGKNACGSGYDFDVYIHRGAGAYICGEETGLIESIEGKAGQPRVKPPF
PANAGLYGCPTTVTNVETVAVCPTIMRRGASWFASFGRPNNAGTKLYCIS
GHVNNPCTVEEEMSIPLRELLEKHCGGVRGGWDNLLAVIPGGSSVPMMPK
NVCDDVLMDFDALKAVGSGLGTAAVIVMDKSTDPIDAILRLSKFYKHESC
GQCTPCREGTGWIVDVMERLLVGNADYAEIDMLQQVTQQIEMHTICALGD
AAAWPVQGLIKNFREEIEDRIDSYHAKHPQLKKSRKSNPQI
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 chain8bqs Chain AD Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bqs Structural basis of mitochondrial membrane bending by I-II-III2-IV2 supercomplex
Resolution2.9 Å
Binding residue
(original residue number in PDB)		G87 G89 N117 D119 Y205 G208 E209 E210 N245 L428
Binding residue
(residue number reindexed from 1)		G57 G59 N87 D89 Y175 G178 E179 E180 N215 L398
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:8bqs, PDBe:8bqs, PDBj:8bqs
PDBsum8bqs
PubMed
UniProtQ23KE4

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