Structure of PDB 8qhr Chain B Binding Site BS01

Receptor Information
>8qhr Chain B (length=131) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTQHVAAAGGDRLIHE
QDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLS
AMIRGAADGSRFQVWDYEEGEVEALLDRYFE
Ligand information
Ligand ID3DR
InChIInChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1
InChIKeyBVOBPNSQIRMLCA-CRCLSJGQSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OCC1OCCC1O)(O)O
OpenEye OEToolkits 1.5.0C1CO[C@@H]([C@H]1O)COP(=O)(O)O
CACTVS 3.341O[C@H]1CCO[C@@H]1CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C1COC(C1O)COP(=O)(O)O
CACTVS 3.341O[CH]1CCO[CH]1CO[P](O)(O)=O
FormulaC5 H11 O6 P
Name1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE;
ABASIC DIDEOXYRIBOSE
ChEMBL
DrugBank
ZINCZINC000005848245
PDB chain8qhr Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qhr Mechanism of substrate hydrolysis by the human nucleotide pool sanitiser DNPH1.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		S128 M130
Binding residue
(residue number reindexed from 1)		S100 M102
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:8qhr, PDBe:8qhr, PDBj:8qhr
PDBsum8qhr
PubMed37884503
UniProtO43598|DNPH1_HUMAN 5-hydroxymethyl-dUMP N-hydrolase (Gene Name=DNPH1)

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