Structure of PDB 6pyo Chain A Binding Site BS01

Receptor Information
>6pyo Chain A (length=161) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETGIGQRIVCLVLDKSGSMATGNRLNRLNQAGQLFLLQTVELGSWVGMVT
FDSAAHVQSELIQINSGSDRDTLAKRLPAAASGGTSICSGLRSAFTVIRK
KYPTDGSEIVLLTDGEDNTISGCFNEVKQSGAIIHTVALGPSAAQELEEL
SKMTGGLQTYA
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 chain6pyo Chain A Residue 701 [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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PDB6pyo Structural and Biophysical Analysis of the CLCA1 VWA Domain Suggests Mode of TMEM16A Engagement.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S314 S316 T383
Binding residue
(residue number reindexed from 1)		S16 S18 T85
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.-.-
External links
PDB RCSB:6pyo, PDBe:6pyo, PDBj:6pyo
PDBsum6pyo
PubMed31995732
UniProtA8K7I4|CLCA1_HUMAN Calcium-activated chloride channel regulator 1 (Gene Name=CLCA1)

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