Structure of PDB 8q1u Chain O Binding Site BS01

Receptor Information
>8q1u Chain O (length=320) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQYGPLAYILGEKATKKMTEKSKLITVDGNICSGKSKLAKEIAEKLGLKH
FPEAGIHYVDSTTGDGKPLPVQFSGNCSLEKFYDDPKSNDGNSYRLQAWL
YASRLLQYADALEHLLSTGQGVVLERSIYSDFVFLEAMYRQGFIRKQCVD
HYNQVKKVTICEYLPPHVVVYVDVPVPEVQSRIQKKGNPHEMKITSAYLQ
DIENAYKGTFLPEMSEKCEVLQYSAWEAQDAEKVVEDIEYLKYDKGPWLD
QNDRKLHKLRMLVQDKLEVLNYTSIPVFLPEVTVGAHQSDQVFQEFTELP
GRKYRAGYNEDVGDKWIWLK
Ligand information
Ligand IDDGT
InChIInChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChIKeyHAAZLUGHYHWQIW-KVQBGUIXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O3
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
FormulaC10 H16 N5 O13 P3
Name2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL477486
DrugBankDB02181
ZINCZINC000008215755
PDB chain8q1u Chain O 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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PDB8q1u Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I
Resolution3.3 Å
Binding residue
(original residue number in PDB)		I31 C32 G34 K35 S36 Y83 Q97 R126 F134 K186
Binding residue
(residue number reindexed from 1)		I31 C32 G34 K35 S36 Y83 Q97 R126 F134 K186
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0032981 mitochondrial respiratory chain complex I assembly
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:8q1u, PDBe:8q1u, PDBj:8q1u
PDBsum8q1u
PubMed38870289
UniProtP34942|NDUAA_BOVIN NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10, mitochondrial (Gene Name=NDUFA10)

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