Structure of PDB 5aei Chain B Binding Site BS04

Receptor Information
>5aei Chain B (length=282) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SELPQMVQQLNSPDQQELQSALRKLSQIASGGNEQIQAVIDAGALPALVQ
LLSSPNEQILQEALWALSNIASGGNEQIQAVIDAGALPALVQLLSSPNEQ
ILQEALWALSNIASGGNEQIQAVIDAGALPALVQLLSSPNEQILQEALWA
LSNIASGGNEQIQAVIDAGALPALVQLLSSPNEQILQEALWALSNIASGG
NEQIQAVIDAGALPALVQLLSSPNEQILQEALWALSNIASGGNEQKQAVK
EAGALEKLEQLQSHENEKIQKEAQEALEKLQS
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 chain5aei Chain B Residue 1296 [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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PDB5aei Structure and Energetic Contributions of a Designed Modular Peptide-Binding Protein with Picomolar Affinity.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		P149 E151
Binding residue
(residue number reindexed from 1)		P139 E141
Annotation score4
External links