Structure of PDB 6siw Chain B Binding Site BS04

Receptor Information

>6siw Chain B (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]

AMSRSRPELGDWSSPAELAELQRSQLPRVLAQALRSPFYAARYRGTTPPR
TADDFAGVEVTAKQDLRDQYPFGMLAVGREHLATYHESSGTAGEPTASYY
TEEDWTDLAERFARKWTGIHPSDTFLVRTPYGLVITGHLAQAAGRLRGAT
VVPGDARSLATPLSRMVRVLKTLDVTLTWCNPTEITMLAAAAKAAGLRPD
QDFPHLRAMFTAAEPLTEVRRRRLSEIWGGIPVVEEYGSTETGTIAGQCP
EGRMHLWADRAIFEVYDPRTGTLSEAGRGQMVVTPLYRDAMPLLRYNLAD
DVEVSTDPCGCGWLLPTVTVLGRHRIGPATVTQQRLEELVFSLPAAYEVM
FWRAKAHPDVLELEFEAPEPVRQRAVKELGAALDRELGVPHRITGLAPGT
LVPAEALTAQRDILKARYLFAEDEDWDKAVMYF

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

6siw Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6siw The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Resolution	1.96 Å
Binding residue (original residue number in PDB)	S87 E240
Binding residue (residue number reindexed from 1)	S88 E241
Annotation score	4

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
PDBsum	6siw
PubMed	31903677
UniProt	A0A022MRT4

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