Structure of PDB 7r0d Chain AAA Binding Site BS01

Receptor Information
>7r0d Chain AAA (length=152) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRRPGVGVGVVVTSCKHPRCVLLGKRKGSGSFQLPGGHLEFGETWEECAQ
RETWEEAALHLKNVHFASVVNSFIEKENYHYVTILMKGEVDVTHDSEPKN
VEPEKNESWEWVPWEELPPLDQLFWGLRCLKEQGYDPFKEDLNHLVGYKG
NH
Ligand information
Ligand IDRDZ
InChIInChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/b10-7+
InChIKeyFFOWJDCTFSWUMJ-JXMROGBWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=CCC/C(=C/COP(=O)(O)O)/C)C
CACTVS 3.385CC(C)=CCCC(C)=CCO[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC(=CCCC(=CCOP(=O)(O)O)C)C
CACTVS 3.385CC(C)=CCC\C(C)=C\CO[P](O)(O)=O
FormulaC10 H19 O4 P
NameGeranyl phosphate;
[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;
[(2~{E})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate
ChEMBL
DrugBank
ZINCZINC000001532829
PDB chain7r0d Chain AAA Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r0d Structure of NUDT15 in complex with Geranyl monophosphate
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G17 P46 G47 G48 H49
Binding residue
(residue number reindexed from 1)		G9 P35 G36 G37 H38
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.9: nucleotide diphosphatase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008413 8-oxo-7,8-dihydroguanosine triphosphate pyrophosphatase activity
GO:0016787 hydrolase activity
GO:0035539 8-oxo-7,8-dihydrodeoxyguanosine triphosphate pyrophosphatase activity
GO:0044715 8-oxo-dGDP phosphatase activity
GO:0046872 metal ion binding
GO:0047429 nucleoside triphosphate diphosphatase activity
Biological Process
GO:0000278 mitotic cell cycle
GO:0000302 response to reactive oxygen species
GO:0006195 purine nucleotide catabolic process
GO:0006203 dGTP catabolic process
GO:0009217 purine deoxyribonucleoside triphosphate catabolic process
GO:0042178 xenobiotic catabolic process
GO:0042262 DNA protection
GO:0055086 nucleobase-containing small molecule metabolic process
GO:0061136 regulation of proteasomal protein catabolic process
GO:1901292 nucleoside phosphate catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7r0d, PDBe:7r0d, PDBj:7r0d
PDBsum7r0d
PubMed38944687
UniProtQ9NV35|NUD15_HUMAN Nucleotide triphosphate diphosphatase NUDT15 (Gene Name=NUDT15)

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