Structure of PDB 7d2f Chain B Binding Site BS01

Receptor Information
>7d2f Chain B (length=326) Species: 272624 (Legionella pneumophila subsp. pneumophila str. Philadelphia 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKLIFAVDIIRHGDRTPIVALPTVNYQWQEGLGQLTAEGMQQEYKMGVAF
RKKYIEESHLLPEHYEYGTIYVRSTDYARTLMSAQSLLMGLYPPGTGPTI
PAGTSALPHAFQPIPVFSAPSKYDEVIIQQVDRKEREKLMEQYVFSTREW
QQKNNELKDKYPLWSRLTGINIDNLGDLETVGHTLYIHQIHNAPMPEGLA
SNDIETIINSAEWAFMAQEKPQQIANVYSSKLMTNIADYLNSGSMKKSKL
KYVLLSAHATTIASVLSFLGAPLEKSPPYASNVNFSLYDNGANYYTVKIT
YNGNPVSIPACGGSVCELQQLINLVH
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 chain7d2f Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7d2f Structural insights into a new substrate binding mode of a histidine acid phosphatase from Legionella pneumophila.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R33 H34 R37 R101 E201 H205 A233 F237 H280 A281
Binding residue
(residue number reindexed from 1)		R11 H12 R15 R79 E179 H183 A211 F215 H258 A259
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003993 acid phosphatase activity
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
Biological Process
GO:0016311 dephosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7d2f, PDBe:7d2f, PDBj:7d2f
PDBsum7d2f
PubMed33450485
UniProtQ5ZWG6

[Back to BioLiP]