Structure of PDB 4jui Chain B Binding Site BS01

Receptor Information
>4jui Chain B (length=470) Species: 1590 (Lactiplantibacillus plantarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSNRLIFDADWLVPEQVQVAGQAIQYYAARNIQYVQHPVAAIQVLNVFV
PAAYLHGSSVNGYQRATAPILMPNTVGGYLPGPADDPQRVTWPTNAGTIQ
QALKRGYVVVAAGIRGRTTVDKSGQRVGQAPAFIVDMKAAIRYVKYNQGR
LPGDANRIITNGTAAGGATSALAGASGNSAYFEPALTALGAAPATDDIFA
VSAYCPIHNLEHADMAYEWQFNGINDWHRYQPVAGTTKNGRPKFEPVSGQ
LTVEEQALSLALKAQFSTYLNQLKLTASDGTHLTLNEAGMGSFRDVVRQL
LISSAQTAFDQGTDIHKYAGFVVTGNQVTDLDLSAYLKSLTRMKAVPAFD
QLDLTSPENNLFGDATAKAKHFTALAQTRSTVTAQLADAELIQAINPLSY
LTTTSSQVAKHWRIRHGAADRDTSFAIPIILAIMLENHGYGIDFALPWDI
PHSGDYDLGDLFSWIDGLCQ
Ligand information
Ligand IDEGR
InChIInChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3
InChIKeyVFPFQHQNJCMNBZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCOC(=O)c1cc(O)c(O)c(O)c1
OpenEye OEToolkits 1.7.6CCOC(=O)c1cc(c(c(c1)O)O)O
ACDLabs 12.01O=C(OCC)c1cc(O)c(O)c(O)c1
FormulaC9 H10 O5
Nameethyl 3,4,5-trihydroxybenzoate;
ethyl gallate
ChEMBLCHEMBL453196
DrugBank
ZINCZINC000000021790
PDB chain4jui 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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PDB4jui Crystal structure of tannase from Lactobacillus plantarum.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G76 G77 Y78 A163 A164 I206 K343 E357 D421 H451
Binding residue
(residue number reindexed from 1)		G77 G78 Y79 A164 A165 I207 K344 E358 D422 H452
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links