Structure of PDB 7w4k Chain J Binding Site BS01

Receptor Information
>7w4k 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 chain7w4k 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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PDB7w4k The coupling mechanism of mammalian mitochondrial complex I.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		T62 G63 F64 R85 L129 V130 G131 R132 F139 F145 I167 I206 R212
Binding residue
(residue number reindexed from 1)		T27 G28 F29 R50 L94 V95 G96 R97 F104 F110 I132 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:7w4k, PDBe:7w4k, PDBj:7w4k
PDBsum7w4k
PubMed35145322
UniProtF1SL07

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