Structure of PDB 6yj4 Chain P Binding Site BS01

Receptor Information
>6yj4 Chain P (length=355) Species: 4952 (Yarrowia lipolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNSFENLAQDVNITRSGKTLIAKGTGGRSSRTGYTATVFGANGFLGSYLT
AKLAKHGTTVVVPYREEMAKRHLKVTGDLGVVNFLEMDLRNLESIDEAVR
HSDIVVNLIGREYETKNFNYYDVHVEGARRIAEAVKKHNIARYIHVSAFN
AEIDSPSEFNHTKGLGEQVTKDIVPWATIVRPAPMFGREDKWFLDRMARS
PCLVSANKFQETSNPVHVIDVAAALERICFDDSTVAQTFELYGPQKFTQK
QIIDMVSETLRKEVRHIELPKALYQAYTKATQAIWWPTYSPDQVERQFLS
QKIDPSAKTFNDLDLTPMELPDLMFKLIRPYRVNTFQHDVSQLENKEKTF
VHILD
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 chain6yj4 Chain P Residue 402 [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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PDB6yj4 Mitochondrial complex I structure reveals ordered water molecules for catalysis and proton translocation.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G60 F64 L65 R85 L128 I129 R131 F138 A168 K183 M205
Binding residue
(residue number reindexed from 1)		G40 F44 L45 R65 L108 I109 R111 F118 A148 K163 M185
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:6yj4, PDBe:6yj4, PDBj:6yj4
PDBsum6yj4
PubMed32747785
UniProtQ6C7X4

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