Structure of PDB 8ugr Chain 5O Binding Site BS01

Receptor Information
>8ugr Chain 5O (length=320) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQYGPLAFVLGERTTRKLTETSKVITVDGNICSGKGRLAREIAEKLGLRH
FPEAGIHYADSTTGDGKPLDVQLSGNCSLEKFYDDPKSNDGNSYRLQSWL
YASRLLQYADALEHLLSTGQGVVLERSIYSDFVFLEAMYRQGFIRKQCVE
HYNEVKKVTACEYLPPHVVVYVDVPVPEIQSRIQKKGNPHEMKITAAYLQ
DIENAYKKTFLPEMSEKCEVLQYSAREAEDAEKVVEDIEYLKCDKGPWPD
QDDRTFHRLRMLVQNKLEVLNYTTIPVYLPEITIGAHQSDRVFQKFTELP
GRKYSPGYNEDVGDKWIWLK
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain8ugr Chain 5O 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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PDB8ugr High-resolution in situ structures of mammalian respiratory supercomplexes.
Resolution6.5 Å
Binding residue
(original residue number in PDB)		I31 C32 S33 G34 K35 E53 L79 Y83 Q97 L100 R104 F134
Binding residue
(residue number reindexed from 1)		I31 C32 S33 G34 K35 E53 L79 Y83 Q97 L100 R104 F134
Annotation score4
Gene Ontology
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0045271 respiratory chain complex I

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ugr, PDBe:8ugr, PDBj:8ugr
PDBsum8ugr
PubMed38811722
UniProtF1SIS9

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