Structure of PDB 3tyx Chain B Binding Site BS01

Receptor Information
>3tyx Chain B (length=332) Species: 198094 (Bacillus anthracis str. Ames) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLPKSLKYGDTIGIYSPSSPVTYTSPKRFERAKSYLLQKGFHILEGSLTG
RYDYYRSGSIQERAKELNALIRNPNVSCIMSTIGGMNSNSLLPYIDYDAF
QNNPKIMIGYSDATALLLGIYAKTGIPTFYGPALVPSFGEFEPFVDDTYK
YFLETLLHDQALPYNIKQPLFWSDESINWEEKTKEKELRPNNWISVTNGQ
ATGRVIGGNLNTIQGIWGSPYMPCIQEGDILFIEDSSKDAATIERSFSFL
KINGVFDKVSGIILGKHEQFDDCGTNRKPYEILLEVLQNQRIPLLADFDC
CHTHPMITMPIGVQVKMDATNKTIHILEKWKI
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 chain3tyx 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

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PDB3tyx Structural and Functional Characterization of Microcin C Resistance Peptidase MccF from Bacillus anthracis.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		I84 G85 S112 W180 E269 H303
Binding residue
(residue number reindexed from 1)		I83 G84 S111 W179 E268 H302
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:3tyx, PDBe:3tyx, PDBj:3tyx
PDBsum3tyx
PubMed22516613
UniProtA0A6L8PEJ7

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