Structure of PDB 6siy Chain A Binding Site BS04

Receptor Information
>6siy Chain A (length=433) Species: 1470557 (Streptomyces sp. Tu 6176) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRPELGDWSSPAELAELQRSQLPRVLAQALRSPFYAARYRGTTPPRTADD
FAGVEVTAKQDLRDQYPFGMLAVGREHLATYHESSGTAGEPTASYYTEED
WTDLAERFARKWTGIHPSDTFLVRTPYGLVITGHLAQAAGRLRGATVVPG
DARSLATPLSRMVRVLKTLDVTLTWCNPTEITMLAAAAKAAGLRPDQDFP
HLRAMFTAAEPLTEVRRRRLSEIWGGIPVVEEYGSTETGTIAGQCPEGRM
HLWADRAIFEVYDPRTGTLSEAGRGQMVVTPLYRDAMPLLRYNLADDVEV
STDPCGCGWLLPTVTVLGRAGTGHRIGPATVTQQRLEELVFSLPAAYEVM
FWRAKAHPDVLELEFEAPEPVRQRAVKELGAALDRELGVPHRITGLAPGT
LVPAEALTAQRDILKARYLFAEDEDWDKAVMYF
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 chain6siy Chain A Residue 509 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6siy The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		R78 E79 L81
Binding residue
(residue number reindexed from 1)		R75 E76 L78
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016874 ligase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6siy, PDBe:6siy, PDBj:6siy
PDBsum6siy
PubMed31903677
UniProtA0A022MRT4

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