Structure of PDB 7w1o Chain J Binding Site BS01

Receptor Information
>7w1o Chain J (length=297) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHHALIPHGKGGRSSVSGIVATVFGATGFLGRYVVNHLGRMGSQVIVPYR
CEPYDTMHLRPMGDLGQIIFMEWNGKDKDSIRKVVEHSNVVINLVGREWE
TKNFDFEDVFVKIPHAIAQVSKEAGVEKLIHISHLNADIKSPSRYLRSKA
VGEKEVRAAFPEATIIKPSDIFGREDRFLNYFASMRLGKETVKQPVYIVD
VSKGIINAIKDPDAKGKTFAFVGPNRYLLFDLVQYIFAVAYRPFTTRDKV
ERVHMSDMTLPHLPGLEDLGIQATPLELKAIEVLRRHRTVKPAKTVN
Ligand information
Ligand IDNDP
InChIInChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyACFIXJIJDZMPPO-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
CACTVS 3.341NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341NC(=O)C1=CN(C=CC1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
FormulaC21 H30 N7 O17 P3
NameNADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
ChEMBLCHEMBL407009
DrugBankDB02338
ZINCZINC000008215411
PDB chain7w1o Chain J Residue 401 [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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PDB7w1o The coupling mechanism of mammalian mitochondrial complex I.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		G60 T62 G63 F64 L65 R85 L129 V130 G131 R132 F139 I167 Y180 K184 P203 I206 R212
Binding residue
(residue number reindexed from 1)		G25 T27 G28 F29 L30 R50 L94 V95 G96 R97 F104 I132 Y145 K149 P168 I171 R177
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0044877 protein-containing complex binding
Biological Process
GO:1901006 ubiquinone-6 biosynthetic process
Cellular Component
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7w1o, PDBe:7w1o, PDBj:7w1o
PDBsum7w1o
PubMed35145322
UniProtF1SL07

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