Structure of PDB 7a24 Chain T Binding Site BS01

Receptor Information
>7a24 Chain T (length=328) Species: 3712 (Brassica oleracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LARKGTGGRSSVSGIVATVFGATGFLGRYLVQQLAKMGSQVLVPFRGSED
SPRHLKLMGDLGQVVPMKFDPRDEDSIKAVMAKANVVINLIGREYETRNF
SFEDANHHIAEKLALVAKEHGGIMRYIQVSCLGASVSSPSRMLRAKAAAE
EAVLNALPEATIMRPATMIGTEDRILNPWSMFVKKYGFLPLIGGGTTKFQ
PVYVVDVAAAIVAALKDDGSSMGKTYELGGPDVFTTHELAEIMYDMIREW
PRYVKLPFPIAKAMAAPRDFMVNKVPFPLPSPQIFNLDQINALTTDTLVS
DNALKFQDLDLVPHKLKGYPVEFLIQYR
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 chain7a24 Chain T Residue 501 [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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PDB7a24 Specific features and assembly of the plant mitochondrial complex I revealed by cryo-EM.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		G75 T77 G78 F79 L80 R100 P125 L144 I145 G146 R147 F154 V183 C185 K200 P219 A220 M222 R228 I229
Binding residue
(residue number reindexed from 1)		G21 T23 G24 F25 L26 R46 P71 L90 I91 G92 R93 F100 V129 C131 K146 P165 A166 M168 R174 I175
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

View graph for
Cellular Component
External links
PDB RCSB:7a24, PDBe:7a24, PDBj:7a24
PDBsum7a24
PubMed33060577
UniProtQ9SK66|NDUA9_ARATH NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial (Gene Name=At2g20360)

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