Structure of PDB 1t8s Chain C Binding Site BS01

Receptor Information
>1t8s Chain C (length=443) 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
HGEIKGAISEHLQIGIRAIDLLRAEGDRLHSRKLRTFNEPPFR
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 C Residue 503 [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)		N205 G307 R381 W383 I402 D403 M404 E405 D428 K436
Binding residue
(residue number reindexed from 1)		N174 G276 R350 W352 I371 D372 M373 E374 D397 K405
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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