Structure of PDB 3g9d Chain B Binding Site BS01

Receptor Information
>3g9d Chain B (length=290) Species: 192 (Azospirillum brasilense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSIRSRALGAYLGLACGDALGATVEFLTKGEIAHQYGVHKHIKGGGWLKL
PAGQVTDDTEMSIHLGRAILAAPEWDARRAAEEFAVWLKGVPVDVGDTTR
RGIRRFIMHGTLSEPSEYHAGNGAAMRNLPVALATLGDDAAFERWTVEQA
HITHCNAMSDAATLTLGHMVRRLVLGGDVRDVRDESNKLIAKHRQFKFQP
YRGLATAYIVDTMQTVMHYYFQTDSVESCVVETVNQGGDADTTGAIAGML
AGATYGVETIPPRWLRKLDRDVYNEICAQVDGLLARAPAL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3g9d Chain B Residue 298 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3g9d Crystal Structure of Dinitrogenase Reductase-activating Glycohydrolase (DRAG) Reveals Conservation in the ADP-Ribosylhydrolase Fold and Specific Features in the ADP-Ribose-binding Pocket
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E28 D243 D245
Binding residue
(residue number reindexed from 1)		E25 D239 D241
Annotation score1
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:3g9d, PDBe:3g9d, PDBj:3g9d
PDBsum3g9d
PubMed19477184
UniProtA7XNI2

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