Structure of PDB 6sj3 Chain B Binding Site BS01

Receptor Information
>6sj3 Chain B (length=503) Species: 1470557 (Streptomyces sp. Tu 6176) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TENLYFQGAMGARLITGGTVYTADAQESVHARGAVLTVDDKVVAVGPAVE
VEQAVQALDPAVRAELRRLDASRMMVLPGFVNAHWHEMFAMGFTMRGALR
PPSDRADQVAFMGGGGDMHQISATFDRFDGLIEAMTEDEARAIAEYSMWI
QLRGGVTTLGDMGSLNRPLAMVEAARRLGMRFSASTWASDAVLAPDRSRF
LRTRDADTVLASFEALLGAVAADPTGRIRCRPNVSYVTNMTDELARGMAE
LVERHDLPFATHVGALRNEADAMRAYHGETGVRRLAEAGLVDERLMAGHS
AFLDDQEQKLMLAGRAHISHSPGKYGPSGESALTETGVVPALRRAGLDVS
LSTDAAALPGAGIAETMRAAWQMYNEMSADQTEVLPTDALAMATRIAAKG
LRWDDAVGSLEPGKQADLLLVRTDDWRYLLNPRPLESFLWLAGSADVDTV
IVGGRTLVEGGRGVEVDEAALRDRYLQALRGFTTRALRVPAEAVDPVLAE
VAR
Ligand information
Ligand ID3HB
InChIInChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyIJFXRHURBJZNAO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cc(O)ccc1
OpenEye OEToolkits 1.7.2c1cc(cc(c1)O)C(=O)O
CACTVS 3.370OC(=O)c1cccc(O)c1
FormulaC7 H6 O3
Name3-HYDROXYBENZOIC ACID
ChEMBLCHEMBL65369
DrugBank
ZINCZINC000000388754
PDB chain6sj3 Chain B Residue 501 [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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PDB6sj3 The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Resolution1.17 Å
Binding residue
(original residue number in PDB)		H77 M103 F116 Y227 H253 A256 L257 H290 E321 D345
Binding residue
(residue number reindexed from 1)		H86 M112 F125 Y236 H262 A265 L266 H299 E330 D354
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6sj3, PDBe:6sj3, PDBj:6sj3
PDBsum6sj3
PubMed31903677
UniProtA0A022MQ12

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