Structure of PDB 6x89 Chain A9 Binding Site BS01

Receptor Information
>6x89 Chain A9 (length=328) Species: 157791 (Vigna radiata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHLVRKGTGGRSSVSGIIATVFGATGFLGRYVVQQLAKMGSQVLVPFRGS
EDCPRHLKLMGDLGQIVPMKYNPRDESSVKAVMAKANVVINLIGRDYETR
NYSFEEVHYHMAENLAKISREHGGILRFIQVSCLGASPSSPSRMLRAKAA
AEEVVLRELPEATILKPAVMIGTEDRILNPWAHFAKKYGFIPLFGNGSTK
IQPVYVVDVAAALTTVLKDDGTSMGKTYELGGPEIFTVHDLAELMYETIR
EWPRYVKVPFPIAKALATPREILLNKPFPLPTPEILNLDKIQALTTDTIV
SENALTFNDLGIIPHKLKGYPVEFLISY
Ligand information
Ligand IDNAP
InChIInChI=1S/C21H28N7O17P3/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/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyXJLXINKUBYWONI-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[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)c1ccc[n+](c1)[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 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
FormulaC21 H28 N7 O17 P3
NameNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
ChEMBLCHEMBL295069
DrugBankDB03461
ZINC
PDB chain6x89 Chain A9 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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PDB6x89 Atomic structure of a mitochondrial complex I intermediate from vascular plants.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		T71 F73 R94 L138 I139 G140 R141 Y148 M157 S178 C179 K194 R222
Binding residue
(residue number reindexed from 1)		T25 F27 R48 L92 I93 G94 R95 Y102 M111 S132 C133 K148 R176
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:6x89, PDBe:6x89, PDBj:6x89
PDBsum6x89
PubMed32840211
UniProtA0A1S3V8W7

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