Structure of PDB 5a3k Chain B Binding Site BS01

Receptor Information
>5a3k Chain B (length=333) Species: 1912 (Streptomyces hygroscopicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNGLTSYFENGRARVVPPVGRNILGVVNYASVCEYPTLDHGYPELEINMV
APTAEPFAEVWVTDAESEHGERDGITYAHDGEYFFCAGRVPPTGRYTEAT
RAAYVTMFELLEEFGYSSVFRMWNFIGDINRDNAEGMEVYRDFCRGRAEA
FEQCRLEFDQFPAATGIGSRGGGIAFYLLACRSGGHVHIENPRQVPAYHY
PKRYGPRAPRFARATYLPSRAADGVGGQVFVSGTASVLGHETAHEGDLVK
QCRLALENIELVISGGNLAAHGISAGHGLTALRNIKVYVRRSEDVPAVRE
ICREAFSPDADIVYLTVDVSRSDLLVEIEGVVM
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 chain5a3k Chain B Residue 1341 [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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PDB5a3k Chorismatase Mechanisms Reveal Fundamentally Different Types of Reaction in a Single Conserved Protein Fold.
Resolution2.753 Å
Binding residue
(original residue number in PDB)		Y147 R154 A171 T172 G173 F218 G240 S327
Binding residue
(residue number reindexed from 1)		Y140 R147 A164 T165 G166 F211 G233 S320
Annotation score3
Enzymatic activity
Enzyme Commision number 4.1.3.45: 3-hydroxybenzoate synthase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016833 oxo-acid-lyase activity

View graph for
Molecular Function
External links
PDB RCSB:5a3k, PDBe:5a3k, PDBj:5a3k
PDBsum5a3k
PubMed26247872
UniProtO30478|HYG5_STRHY 3-hydroxybenzoate synthase

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