Structure of PDB 3sbx Chain H Binding Site BS01

Receptor Information
>3sbx Chain H (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 H 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)		A18 A19 M54 E80 M95 R98 K99 G115 G117 T118 D120 E121
Binding residue
(residue number reindexed from 1)		A9 A10 M45 E71 M86 R89 K90 G106 G108 T109 D111 E112
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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