Structure of PDB 3kf9 Chain A Binding Site BS04

Receptor Information
>3kf9 Chain A (length=149) Species: 3190 (Scherffelia dubia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLTEEQKQEIREAFDLFDTDGSGTIDAKELKVAMRALGFEPKKEEIKKMI
ADIDKDGSGTIDFEEFLQMMTAKMGERDSREEIMKAFRLFDDDETGKISF
KNLKRVAKELGENMTDEELQEMIDEADRDGDGEVNEEEFFRIMKKTSLF
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 chain3kf9 Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3kf9 Structural features of the complexes formed by Scherffelia dubia centrin
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D146 D148 D150 E152 E157
Binding residue
(residue number reindexed from 1)		D127 D129 D131 E133 E138
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A52
Catalytic site (residue number reindexed from 1) A33
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:3kf9, PDBe:3kf9, PDBj:3kf9
PDBsum3kf9
PubMed
UniProtQ06827|CATR_SCHDU Caltractin

[Back to BioLiP]