Structure of PDB 6siz Chain B Binding Site BS03

Receptor Information
>6siz Chain B (length=437) 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
DVEVSTDPCGCGWLLPTVTVLGRAGTGHRIGPATVTQQRLEELVFSLPAA
YEVMFWRAKAHPDVLELEFEAPEPVRQRAVKELGAALDRELGVPHRITGL
APGTLVPAEALTAQRDILKARYLFAEDEDWDKAVMYF
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 chain6siz Chain B Residue 502 [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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PDB6siz The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		L138 A211 E235 G237 S238
Binding residue
(residue number reindexed from 1)		L139 A212 E236 G238 S239
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:6siz, PDBe:6siz, PDBj:6siz
PDBsum6siz
PubMed31903677
UniProtA0A022MRT4

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