Structure of PDB 4b2o Chain B Binding Site BS01

Receptor Information
>4b2o Chain B (length=264) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRILFIGDVVGSPGRDMVKEYVPKLKTKYKPHFTIINGENAAHGKGLTEK
IYHSLIQSGADAITMGNHTWDKKEIFDFIDDVPNLVRPANFPEGTPGKGI
TYVKANGKELAVINLQGRTFLPPLDDPFLKADELIAEAAKRTPYIFIDFH
AEATSEKLALGWYTDGRASAVVGTHTHVQTADNRILPKGTAYITDVGMTG
PYDGILGMDRETIIKRFKTNLPVRFTVAEGKTTLSGVVIDIDDQTKKAVK
IERILINDDHMFFE
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4b2o Chain B Residue 1265 [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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PDB4b2o The Ymdb Phosphodiesterase is a Global Regulator of Late Adaptive Responses in Bacillus Subtilis.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		E39 N40 N67 H68 H175 H177
Binding residue
(residue number reindexed from 1)		E39 N40 N67 H68 H175 H177
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.16: 2',3'-cyclic-nucleotide 2'-phosphodiesterase.
Gene Ontology
Molecular Function
GO:0004113 2',3'-cyclic-nucleotide 3'-phosphodiesterase activity
GO:0008663 2',3'-cyclic-nucleotide 2'-phosphodiesterase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4b2o, PDBe:4b2o, PDBj:4b2o
PDBsum4b2o
PubMed24163345
UniProtO31775|YMDB_BACSU 2',3'-cyclic-nucleotide 2'-phosphodiesterase (Gene Name=ymdB)

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