Structure of PDB 8qhr Chain B Binding Site BS02

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 B 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)		C26 G27 S28 I29 R30 D80 S98 G100 E104
Binding residue
(residue number reindexed from 1)		C8 G9 S10 I11 R12 D52 S70 G72 E76
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

View graph for
Molecular Function
View graph for
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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