Structure of PDB 6siy Chain A Binding Site BS03

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 ID3HA
InChIInChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
InChIKeyWJXSWCUQABXPFS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)N)C(=O)O
CACTVS 3.341Nc1c(O)cccc1C(O)=O
ACDLabs 10.04O=C(O)c1cccc(O)c1N
FormulaC7 H7 N O3
Name3-HYDROXYANTHRANILIC ACID;
2-AMINO-3-HYDROXYBENZOIC ACID
ChEMBLCHEMBL445304
DrugBankDB03644
ZINCZINC000000388292
PDB chain6siy Chain A Residue 508 [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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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)		T128 P129 T135 R156 N180
Binding residue
(residue number reindexed from 1)		T125 P126 T132 R153 N177
Annotation score1
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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