Structure of PDB 5jdj Chain L Binding Site BS01

Receptor Information
>5jdj Chain L (length=90) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMETLHITKTMKNIEVPETKTASFECEVSHFNVPSMWLKNGVEIEMSEKF
KIVVQGKLHQLIIMNTSTEDSAEYTFVCGNDQVSATLTVT
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 chain5jdj Chain L Residue 101 [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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PDB5jdj Exploration of pathomechanisms triggered by a single-nucleotide polymorphism in titin's I-band: the cardiomyopathy-linked mutation T2580I.
Resolution1.738 Å
Binding residue
(original residue number in PDB)		I8 T9
Binding residue
(residue number reindexed from 1)		I7 T8
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
External links
PDB RCSB:5jdj, PDBe:5jdj, PDBj:5jdj
PDBsum5jdj
PubMed27683155
UniProtQ8WZ42|TITIN_HUMAN Titin (Gene Name=TTN)

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