Structure of PDB 6siw Chain A Binding Site BS04

Receptor Information
>6siw Chain A (length=432) Species: 1470557 (Streptomyces sp. Tu 6176) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPELGDWSSPAELAELQRSQLPRVLAQALRSPFYAARYRGTTPPRTADDF
AGVEVTAKQDLRDQYPFGMLAVGREHLATYHESSGTAGEPTASYYTEEDW
TDLAERFARKWTGIHPSDTFLVRTPYGLVITGHLAQAAGRLRGATVVPGD
ARSLATPLSRMVRVLKTLDVTLTWCNPTEITMLAAAAKAAGLRPDQDFPH
LRAMFTAAEPLTEVRRRRLSEIWGGIPVVEEYGSTETGTIAGQCPEGRMH
LWADRAIFEVYDPRTGTLSEAGRGQMVVTPLYRDAMPLLRYNLADDVEVS
TDPCGCGWLLPTVTVLGRAGTGHRIGPATVTQQRLEELVFSLPAAYEVMF
WRAKAHPDVLELEFEAPEPVRQRAVKELGAALDRELGVPHRITGLAPGTL
VPAEALTAQRDILKARYLFAEDEDWDKAVMYF
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 chain6siw Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6siw The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		P120 G147 T149
Binding residue
(residue number reindexed from 1)		P116 G143 T145
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:6siw, PDBe:6siw, PDBj:6siw
PDBsum6siw
PubMed31903677
UniProtA0A022MRT4

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