Structure of PDB 1tn4 Chain A Binding Site BS01

Receptor Information
>1tn4 Chain A (length=157) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDQQAEARSYLSEEMIAEFKAAFDMFDADGGGDISVKELGTVMRMLGQTP
TKEELDAIIEEVDEDGSGTIDFEEFLVMMVRQMKEDAKGKSEEELAELFR
IFDRNADGYIDAEELAEIFRASGEHVTDEEIESLMKDGDKNNDGRIDFDE
FLKMMEG
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 chain1tn4 Chain A Residue 160 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tn4 Structures of four Ca2+-bound troponin C at 2.0 A resolution: further insights into the Ca2+-switch in the calmodulin superfamily.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D27 D29 D33 E38
Binding residue
(residue number reindexed from 1)		D27 D29 D33 E38
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V42
Catalytic site (residue number reindexed from 1) V42
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0031014 troponin T binding
GO:0046872 metal ion binding
Cellular Component
GO:0016460 myosin II complex

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Molecular Function
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Cellular Component
External links
PDB RCSB:1tn4, PDBe:1tn4, PDBj:1tn4
PDBsum1tn4
PubMed9438870
UniProtP02586|TNNC2_RABIT Troponin C, skeletal muscle (Gene Name=TNNC2)

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