Structure of PDB 7dg0 Chain B Binding Site BS01

Receptor Information
>7dg0 Chain B (length=155) Species: 1188239 (Mesomycoplasma ovipneumoniae 14811) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFVDLGISTQRKIVYELYFAVKYLSKNKVGAIITLQRNILLDSLRTDGVK
IDSLINSSLLIAIFQKSSPLHDGAVIIVDDRILYASTYFSVSESTLEDRY
GARHRAALGISEVSDSITVVVSEQSGEVVIVRDANFFKVTNLETFTEVLT
KELNS
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7dg0 Chain B Residue 301 [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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PDB7dg0 Structure and function of Diadenylate cyclase DacM in Mycoplasma ovipneumoniae
Resolution1.895 Å
Binding residue
(original residue number in PDB)		D112 G113 Y128 F129 A142 R143 A146
Binding residue
(residue number reindexed from 1)		D72 G73 Y88 F89 A102 R103 A106
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.85: diadenylate cyclase.
External links