Structure of PDB 8qqr Chain A Binding Site BS03

Receptor Information
>8qqr Chain A (length=464) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPVPTGGDDPTKVAMLGLTFDDVLLLPAASDVVPATADTSSQLTKRIRLR
VPLVSSAMDTVTESRMAIAMARAGGMGVLHRNLPVAEQAGQVETVKRSEA
GMVTDPVTCSPDNTLAEVDAMCARFRISGLPVVDDTGELVGIITNRDMRF
EVDQSKPVSEVMTKAPLITAKEGVSAEAALGLLRRHKIEKLPIVDGHGKL
TGLITVKDFVKTEQFPLSTKDSDGRLLVGAAVGVGDDAWTRAMTLVDAGV
DVLIVDTAHAHNRGVLDMVSRLKQAVGERVDVVGGNVATRAAAAALVEAG
ADAVKVGVGPGSICTTRVVAGVGAPQITAILEAVAACKPYGVPVIADGGL
QYSGDIAKALAAGASTAMLGSLLAGTAESPGELIFVNGKQFKSYRRYFQD
DVLSEDKLVPEGIEGRVPFRGPLGTVIHQLTGGLRAAMGYTGSATIEQLQ
QAQFVQITAAGLKE
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 chain8qqr Chain A Residue 603 [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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PDB8qqr Mycobacterium smegmatis inosine monophosphate dehydrogenase (IMPDH) apo form
Resolution2.73 Å
Binding residue
(original residue number in PDB)		S139 E200
Binding residue
(residue number reindexed from 1)		S128 E189
Annotation score1
External links