Structure of PDB 3sbx Chain F Binding Site BS01

Receptor Information
>3sbx Chain F (length=177) Species: 216594 (Mycobacterium marinum M) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RWTVAVYCAAAPTHPELLELAGAVGAAIAARGWTLVWGGGHVSAMGAVSS
AARAHGGWTVGVIPKMLVHRELADHDADELVVTETMWERKQVMEDRANAF
ITLPGGVGTLDELLDVWTEGYLGMHDKSIVVLDPWGHFDGLRAWLSELAD
TGYVSRTAMERLIVVDNLDDALQACAP
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain3sbx Chain E Residue 188 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3sbx Increasing the structural coverage of tuberculosis drug targets.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T127 L131
Binding residue
(residue number reindexed from 1)		T118 L122
Annotation score3
Enzymatic activity
Enzyme Commision number 3.2.2.n1: cytokinin riboside 5'-monophosphate phosphoribohydrolase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016787 hydrolase activity
GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
GO:0102682 cytokinin riboside 5'-monophosphate phosphoribohydrolase activity
Biological Process
GO:0009691 cytokinin biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3sbx, PDBe:3sbx, PDBj:3sbx
PDBsum3sbx
PubMed25613812
UniProtB2HS63|LOGH_MYCMM Cytokinin riboside 5'-monophosphate phosphoribohydrolase (Gene Name=MMAR_4233)

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