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Structure of PDB 8qhq Chain B Binding Site BS01

Receptor Information
>8qhq Chain B (length=143) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEE
AAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYQLGRAVAFNKRILCL
FRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEAD
Ligand information
Ligand ID5HU
InChIInChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
InChIKeyWEBVWKFGRVLCNS-XLPZGREQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O
CACTVS 3.341OCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O
CACTVS 3.341OCC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
ACDLabs 10.04O=C1NC(=O)N(C=C1CO)C2OC(C(O)C2)COP(=O)(O)O
FormulaC10 H15 N2 O9 P
Name5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE
ChEMBLCHEMBL1160818
DrugBankDB03846
ZINCZINC000013538464
PDB chain8qhq Chain A Residue 201 [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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PDB8qhq Mechanism of substrate hydrolysis by the human nucleotide pool sanitiser DNPH1.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		S128 A129 M130
Binding residue
(residue number reindexed from 1)		S110 A111 M112
Annotation score2
Enzymatic activity
Enzyme Commision number 3.2.2.-
Gene Ontology
Molecular Function
GO:0070694 deoxyribonucleoside 5'-monophosphate N-glycosidase activity
Biological Process
GO:0009159 deoxyribonucleoside monophosphate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8qhq, PDBe:8qhq, PDBj:8qhq
PDBsum8qhq
PubMed37884503
UniProtO43598|DNPH1_HUMAN 5-hydroxymethyl-dUMP N-hydrolase (Gene Name=DNPH1)

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