Structure of PDB 1t8s Chain B Binding Site BS01

Receptor Information
>1t8s Chain B (length=444) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTPAQALDKLDALYEQSVVALRNAIGNYITSGELPDENARKQGLFVYPSL
TVTWDGSTTNPPKTRAFGRFTHAGSYTTTITRPTLFRSYLNEQLTLLYQD
YGAHISVQPSQHEIPYPYVILDRSMSAGLTRYFPTTFSPLSHFDARRVDF
SLARLRHYTGTPVEHFQPFVLFTNYTRYVDEFVRWGCSQILDPDSPYIAL
SCAGGNWITAETEAPEEAISDLAWKKHQMPAWHLITADGQGITLVNIGVG
PSNAKTICDHLAVLRPDVWLMIGHCGGLRESQAIGDYVLAHAYLRDDHVL
DAVLPPDIPIPSIAEVQRALYDATKLVSGRPGEEVKQRLRTGTVVTTDDR
NWELRYSASALRFNLSRAVAIDMESATIAAQGYRFRVPYGTLLCVSDKPL
HGEIKEGAISEHLQIGIRAIDLLRAEGDRLHSRKLRTFNEPPFR
Ligand information
Ligand IDFMP
InChIInChI=1S/C10H14N5O7P/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(17)7(16)3(22-9)1-21-23(18,19)20/h2-3,7-9,16-17H,1H2,(H,14,15)(H2,11,12,13)(H2,18,19,20)/t3-,7-,8-,9+/m1/s1
InChIKeyPBAHXXBYQACZMA-KSYZLYKTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)COP(=O)(O)O)O)O
CACTVS 3.341Nc1ncnc2c1[nH]nc2[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.341Nc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 10.04O=P(OCC3OC(c2nnc1c2ncnc1N)C(O)C3O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
FormulaC10 H14 N5 O7 P
NameFORMYCIN-5'-MONOPHOSPHATE
ChEMBL
DrugBankDB03464
ZINCZINC000013507295
PDB chain1t8s Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1t8s Structure of Escherichia coli AMP Nucleosidase Reveals Similarity to Nucleoside Phosphorylases
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H188 Y189
Binding residue
(residue number reindexed from 1)		H157 Y158
Annotation score2
Enzymatic activity
Enzyme Commision number 3.2.2.4: AMP nucleosidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008714 AMP nucleosidase activity
GO:0016787 hydrolase activity
Biological Process
GO:0009116 nucleoside metabolic process
GO:0044209 AMP salvage
GO:0046033 AMP metabolic process
Cellular Component
GO:0005737 cytoplasm
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:1t8s, PDBe:1t8s, PDBj:1t8s
PDBsum1t8s
PubMed15296732
UniProtP0AE12|AMN_ECOLI AMP nucleosidase (Gene Name=amn)

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