Structure of PDB 7w4l Chain J Binding Site BS01

Receptor Information
>7w4l 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 chain7w4l 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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PDB7w4l The coupling mechanism of mammalian mitochondrial complex I.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		G60 T62 G63 F64 R85 C86 L129 V130 G131 R132 F139 Y180 K184 P203 I206
Binding residue
(residue number reindexed from 1)		G25 T27 G28 F29 R50 C51 L94 V95 G96 R97 F104 Y145 K149 P168 I171
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:7w4l, PDBe:7w4l, PDBj:7w4l
PDBsum7w4l
PubMed35145322
UniProtF1SL07

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