Structure of PDB 5bu2 Chain B Binding Site BS01

Receptor Information
>5bu2 Chain B (length=290) Species: 933093 (Legionella pneumophila subsp. pneumophila ATCC 43290) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYLLSANGSKAIDFVWSNFLKHPYNPKLKQPDANVKAAWEKHADWEHWSN
MGQDWSLNTPSGLVPRPNHGIAHTLRVAQLVPVIAEFLKAYSGDPKFQKL
TQKEIQKAQYMMLFSVIGRENDMSWTDANHYQQAFKEAYNGQYSKHIYAT
FKENAQKGFLNHVVTNKSSLIPSLFSDESELQYWAEALDTISSASGILMA
LAHDLDLMRCYDKGKFNSLKMKDLVARLGGNEDAAKKLADYAHDLIVATG
DRCMGYGVTQDYNYSLFGKCSLDPNECLKQLQSIPKPETT
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 chain5bu2 Chain B Residue 701 [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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PDB5bu2 Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		K393 K396 E477 Y480 W481 S494 A495
Binding residue
(residue number reindexed from 1)		K96 K99 E180 Y183 W184 S193 A194
Annotation score4
External links