Structure of PDB 4ts7 Chain B Binding Site BS01

Receptor Information
>4ts7 Chain B (length=209) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKIPVKVVTWDEIVSLSTKLAEKIKADEYNVNVIVAIARGGLVPARLVAD
VLGVFDILSIKIEHWIETASHTPEAKVKYPFKVDLSDKNVLIIDDITDTG
DSIELARKYVMENFRPTEVKTATLQYIKPAAKIIPDYYAEEIVSWAWFMY
PWNYWEDEINLVNKILIERKTKDIDINELKRNFVESYGIENPPISLDKIL
TEMKRRKIV
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain4ts7 Chain B Residue 301 [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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PDB4ts7 Adenine Phosphoribosyltransferase from Sulfolobus solfataricus Is an Enzyme with Unusual Kinetic Properties and a Crystal Structure that Suggests It Evolved from a 6-Oxopurine Phosphoribosyltransferase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H65 D95 D96 I97 T98 D99 T100 G101 D102 S103 I104 W148 F149
Binding residue
(residue number reindexed from 1)		H64 D94 D95 I96 T97 D98 T99 G100 D101 S102 I103 W147 F148
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D95 D96 D99
Catalytic site (residue number reindexed from 1) D94 D95 D98
Enzyme Commision number 2.4.2.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4ts7, PDBe:4ts7, PDBj:4ts7
PDBsum4ts7
PubMed25790177
UniProtQ97W95

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