Structure of PDB 6wxp Chain C Binding Site BS01

Receptor Information
>6wxp Chain C (length=154) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGDILIVNAKDVDEMLKQVEILRRLGAKQIAVESSDWRILQEALKKGGDI
LIVNGGGMTITFRGDDLEALLKAAIEMIKQALKFGATITLSLDGNDLNIN
ITGVPEQVRKELAKEAERLAKEFGITVTRTVDEMLKQVEILRRLGAKQIA
VESD
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 chain6wxp Chain D Residue 201 [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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PDB6wxp Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E31 E154
Binding residue
(residue number reindexed from 1)		E33 E152
Annotation score4
External links