Structure of PDB 7ar8 Chain P Binding Site BS01

Receptor Information
>7ar8 Chain P (length=332) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVGHLARKGTGGRSSVSGIVATVFGATGFLGRYLVQQLAKMGSQVLVPFR
GSEDSPRHLKLMGDLGQVVPMKFDPRDEDSIKAVMAKANVVINLIGREYE
TRNFSFEDANHHIAEKLALVAKEHGGIMRYIQVSCLGASVSSPSRMLRAK
AAAEEAVLNALPEATIMRPATMIGTEDRILNPWSMFVKKYGFLPLIGGGT
TKFQPVYVVDVAAAIVAALKDDGSSMGKTYELGGPDVFTTHELAEIMYDM
IREWPRYVKLPFPIAKAMAAPRDFMVNKVPFPLPSPQIFNLDQINALTTD
TLVSDNALKFQDLDLVPHKLKGYPVEFLIQYR
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 chain7ar8 Chain P Residue 500 [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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PDB7ar8 A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Resolution3.53 Å
Binding residue
(original residue number in PDB)		T77 L80 R100 P125 L144 I145 G146 R147 F154 C185 K200 M222 R228
Binding residue
(residue number reindexed from 1)		T27 L30 R50 P75 L94 I95 G96 R97 F104 C135 K150 M172 R178
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:7ar8, PDBe:7ar8, PDBj:7ar8
PDBsum7ar8
PubMed33768254
UniProtQ9SK66|NDUA9_ARATH NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial (Gene Name=At2g20360)

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