Structure of PDB 8ap0 Chain AAA Binding Site BS01

Receptor Information
>8ap0 Chain AAA (length=332) Species: 212423 (Streptomyces kaniharaensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAVRVSAPARLSFTLISLDGSSLRRNGIAAMAVDRPGLTAEVREAADGIV
AVTGTAEETARELAAALEALRKLWDGPAARVDVLEALPQHSGFGSKTSTL
LAVGHAYGRLCGVEPDLRELARTLGRGRVSGASTGLSAYGGFLVDGGHVN
PPDFAEAPQKYLRPSRFAQQVAPPKPVVRLDFPDWPVLVLLTHGRHLGGQ
EELEWFHSVAPIPAEESWRTSHLVFMGLAPAVLEQDFDAFCAAVNEITFT
GHFKQAQIAFQGDAVADVLEAGRAAPSVDAIALSVTGPACFAFTKRPEDA
ERWAWELKNRGLIRDFWFTRANNQGLATTVVS
Ligand information
Ligand IDPRP
InChIInChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
InChIKeyPQGCEDQWHSBAJP-TXICZTDVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P@](O)(=O)O[P](O)(O)=O
FormulaC5 H13 O14 P3
Name1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose;
ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID;
1-O-pyrophosphono-5-O-phosphono-alpha-D-ribose;
1-O-pyrophosphono-5-O-phosphono-D-ribose;
1-O-pyrophosphono-5-O-phosphono-ribose
ChEMBL
DrugBankDB01632
ZINCZINC000008215630
PDB chain8ap0 Chain AAA 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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PDB8ap0 Experimental and computational snapshots of C-C bond formation in a C-nucleoside synthase.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R19 H99 G101 G103 S104 K105 T106 S139 S142
Binding residue
(residue number reindexed from 1)		R10 H90 G92 G94 S95 K96 T97 S130 S133
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016301 kinase activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0016310 phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8ap0, PDBe:8ap0, PDBj:8ap0
PDBsum8ap0
PubMed36629016
UniProtA0A5S9CYM0

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