Structure of PDB 8qj5 Chain A Binding Site BS01

Receptor Information
>8qj5 Chain A (length=412) Species: 103796 (Pseudomonas syringae pv. actinidiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INYEPTVWSRADALKVNENDPTTTQPLVSADFPVMSDTVFIWDTMPLREL
DGTVVSVNGWSVILTLTADRHPDDPQYLDANGRYDIKRDWEDRHGRARMC
YWYSRTGKDWIFGGRVMAEGVSPTTREWAGTPILLNDKGDIDLYYTCVTP
GAAIAKVRGRIVTSDQGVELKDFTQVKKLFEADGTYYQTEAQNSSWNFRD
PSPFIDPNDGKLYMVFEGNVAGERGSHTVGAAELGPVPPGHEDVGGARFQ
VGCIGLAVAKDLSGEEWEILPPLVTAVGVNDQTERPHYIFQDGKYYLFTI
SHKFTYAEGLEGPDGVYGFVGEHLFGPYRPMNASGLVLGNPPEQPFQTYS
HCVMPNGLVTSFIDSVPTDGEDYRIGGTEAPTVRIVLKGDRSFVQEEYDY
GYIPAMKDVQLS
Ligand information
Ligand IDP4K
InChIInChI=1S/C30H62O15/c1-2-32-5-6-34-9-10-36-13-14-38-17-18-40-21-22-42-25-26-44-29-30-45-28-27-43-24-23-41-20-19-39-16-15-37-12-11-35-8-7-33-4-3-31/h31H,2-30H2,1H3
InChIKeyWWPGFZAAWXFBTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
ACDLabs 12.01OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC
FormulaC30 H62 O15
Namepolyethylene glycol;
3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol
ChEMBL
DrugBank
ZINC
PDB chain8qj5 Chain A Residue 502 [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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PDB8qj5 Crystal structure of the Levansucrase beta from Pseudomonas syringae pv. actinidiae
Resolution1.63 Å
Binding residue
(original residue number in PDB)		P142 T143 C166 P169 A172 K197 L198 E200
Binding residue
(residue number reindexed from 1)		P123 T124 C147 P150 A153 K178 L179 E181
Annotation score1
External links
PDB RCSB:8qj5, PDBe:8qj5, PDBj:8qj5
PDBsum8qj5
PubMed
UniProtA0A2V0R8Q9|LSCB_PSESF Levansucrase Lscbeta (Gene Name=lscbeta)

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