Structure of PDB 6sj4 Chain B Binding Site BS01

Receptor Information
>6sj4 Chain B (length=495) Species: 1470557 (Streptomyces sp. Tu 6176) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMGARLITGGTVYTADAQESVHARGAVLTVDDKVVAVGPAVEVEQAVQAL
DPAVRAELRRLDASRMMVLPGFVNAHWHEMFAMGFTMRGALRPPSDRADQ
VAFMGGGGDMHQISATFDRFDGLIEAMTEDEARAIAEYSMWIQLRGGVTT
LGDMGSLNRPLAMVEAARRLGMRFSASTWASDAVLAPDRSRFLRTRDADT
VLASFEALLGAVAADPTGRIRCRPNVSYVTNMTDELARGMAELVERHDLP
FATHVGALRNEADAMRAYHGETGVRRLAEAGLVDERLMAGHSAFLDDQEQ
KLMLAGRAHISHSPGKYGPSGESALTETGVVPALRRAGLDVSLSTDAAAL
PGAGIAETMRAAWQMYNEMSADQTEVLPTDALAMATRIAAKGLRWDDAVG
SLEPGKQADLLLVRTDDWRYLLNPRPLESFLWLAGSADVDTVIVGGRTLV
EGGRGVEVDEAALRDRYLQALRGFTTRALRVPAEAVDPVLAEVAR
Ligand information
Ligand IDLFK
InChIInChI=1S/C14H10O5/c15-11-5-1-4-10(7-11)14(18)19-12-6-2-3-9(8-12)13(16)17/h1-8,15H,(H,16,17)
InChIKeyIZVHEBMVWHVUFW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)O)C(=O)Oc2cccc(c2)C(=O)O
CACTVS 3.385OC(=O)c1cccc(OC(=O)c2cccc(O)c2)c1
FormulaC14 H10 O5
Name3-(3-hydroxyphenyl)carbonyloxybenzoic acid
ChEMBL
DrugBank
ZINC
PDB chain6sj4 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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PDB6sj4 The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		H77 M79 R87 M103 F116 Y227 H253 A256 L257 H290 E321 D345 A346
Binding residue
(residue number reindexed from 1)		H78 M80 R88 M104 F117 Y228 H254 A257 L258 H291 E322 D346 A347
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:6sj4, PDBe:6sj4, PDBj:6sj4
PDBsum6sj4
PubMed31903677
UniProtA0A022MQ12

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