Structure of PDB 6wuq Chain A Binding Site BS03

Receptor Information
>6wuq Chain A (length=429) Species: 1931 (Streptomyces sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRPEPGDWSSPAELAELQRARLPQVIAQALRSPFYAARYEGRTPPRTADD
FAGVELTTKQDLRDQYPFGMLAVERERLATYHESSGTAGDPTASYYTQED
WTDLAERFARKWTGIHPSDTFLVRTPYGLVITGHLAQAAGRLRGATVVPG
DARSLATPLSRMVRVLKSLDVTLTWCNPTEITMLAAAAKAAGLRPDRDFP
ALRAMFTAAEPLTEVRRRRLSEIWGGVPVVEEYGSTETGTIAGQCPEGRM
HLWADRAVFEVYDPATGELSEAGRGQMVVTPLYRDAMPLLRYNLADEVEV
STDPCPCGWLLPTVTVLGRAGTEHTVGSATVTQQRLEELVFSLPAAYEVM
FWRAKAHPDVLHLQFEAPDATREQAAKELGAALDRELGVPHRIEGLPLGT
LVPTEALTARRDILKARYLFAEGEDWDKA
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 chain6wuq Chain A Residue 503 [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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PDB6wuq The crystal structure of AjiA1 reveals a novel structural motion mechanism in the adenylate-forming enzyme family
Resolution2.003 Å
Binding residue
(original residue number in PDB)		E79 L81
Binding residue
(residue number reindexed from 1)		E76 L78
Annotation score4
External links