Structure of PDB 4j0k Chain B Binding Site BS01

Receptor Information
>4j0k 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
LPGDANRIITNGTSAGGATSALAGASGNSAYFEPALTALGAAPATDDIFA
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 chain4j0k 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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PDB4j0k Crystal structure of tannase from Lactobacillus plantarum.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		G76 G77 Y78 S163 A164 K343 E357 D421 H451
Binding residue
(residue number reindexed from 1)		G77 G78 Y79 S164 A165 K344 E358 D422 H452
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links