Structure of PDB 5ovo Chain A Binding Site BS01

Receptor Information
>5ovo Chain A (length=295) Species: 192 (Azospirillum brasilense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DHSIRSRALGAYLGLACGDALGATVEFLTKGEIAHQYGVHKHIKGGGWLK
LPAGQVTDDTEMSIHLGRAILAAPEWDARRAAEEFAVWLKGVPVDVGDTT
RRGIRRFIMHGTLSEPESEYHAGNGAAMRNLPVALATLGDDAAFERWTVE
QAHITHCNAMSDAATLTLGHMVRRLVLGGDVRDVRDESNKLIAKHRQFKF
QPYRGLATAYIVDTMQTVMHYYFQTDSVESCVVETVNQGGDADTTGAIAG
MLAGATYGVETIPPRWLRKLDRDVYNEICAQVDGLLARAPALKQG
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 chain5ovo Chain A 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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PDB5ovo Structure of DraG-GlnZ-delta42-54 complex from Azospirillum brasilense
Resolution1.55 Å
Binding residue
(original residue number in PDB)		G99 D100 T101 T102 E121 Y122 A124 G125 G127 H158 A211 Y212
Binding residue
(residue number reindexed from 1)		G97 D98 T99 T100 E119 Y120 A122 G123 G125 H156 A209 Y210
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.24: ADP-ribosyl-[dinitrogen reductase] hydrolase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
GO:0047407 ADP-ribosyl-[dinitrogen reductase] hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:5ovo, PDBe:5ovo, PDBj:5ovo
PDBsum5ovo
PubMed
UniProtA7XNI2

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