Structure of PDB 8xpk Chain A Binding Site BS04

Receptor Information
>8xpk Chain A (length=254) Species: 2527963 (Planctomycetes bacterium TBK1r) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVIWSQEFDGESLDRNVWSYDVGGHGFGNGQLEFNTDRPENAYLRDGNLV
IEARREAYGGNAFTSARIHTRGRFAFQYGDLEARIKVPDTSDGIWPAFWM
LGNNFPGTVWPKCGAADILEIGGKDGIAKGLQNRQINCALHFAGVGEQKT
SLVEWFDAPVDLHLDYHLYKISWTPTHMKFFLDGKEFGSWDITASEMKEY
HQPFYPILNVAVGSWTHSYTGLDTPEKITATLPARMYVDWIRLYGHPETK
LVQN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8xpk Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8xpk Marine bacterial laminarinase PtLam mutant E154A in complex with laminatriose
Resolution2.0 Å
Binding residue
(original residue number in PDB)
A182 E235 E238
Binding residue
(residue number reindexed from 1)
A143 E196 E199
Annotation score4
External links