Structure of PDB 5ag3 Chain A Binding Site BS01

Receptor Information
>5ag3 Chain A (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
ICREAFSPDADIVYLTVDVCRSDLLVEIEGVVM
Ligand information
Ligand ID3EB
InChIInChI=1S/C10H10O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6H,4-5H2,(H,11,12)(H,13,14)
InChIKeyXUOCLOJWCPUKCS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC(=O)CCc1cccc(c1)C(O)=O
ACDLabs 12.01O=C(O)c1cccc(c1)CCC(=O)O
OpenEye OEToolkits 1.7.6c1cc(cc(c1)C(=O)O)CCC(=O)O
FormulaC10 H10 O4
Name3-(2-CARBOXYETHYL)BENZOIC ACID
ChEMBLCHEMBL2365081
DrugBank
ZINCZINC000095590835
PDB chain5ag3 Chain A 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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PDB5ag3 Chorismatase Mechanisms Reveal Fundamentally Different Types of Reaction in a Single Conserved Protein Fold.
Resolution1.898 Å
Binding residue
(original residue number in PDB)		Y147 R154 A171 T172 G173 Y207 F218 G240 C327
Binding residue
(residue number reindexed from 1)		Y140 R147 A164 T165 G166 Y200 F211 G233 C320
Annotation score2
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:5ag3, PDBe:5ag3, PDBj:5ag3
PDBsum5ag3
PubMed26247872
UniProtO30478|HYG5_STRHY 3-hydroxybenzoate synthase

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