Structure of PDB 8ov0 Chain A Binding Site BS01

Receptor Information
>8ov0 Chain A (length=110) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGRDCHPRCTWTKWFDVDFPSPGPHGGDKETYNNIIRSGEKICRRPEEIT
RLQCRAKSHPEVSIEHLGQVVQCSREEGLVCRNQDQQGPFKMCLNYEVRV
LCCETPKGCP
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 chain8ov0 Chain A Residue 3701 [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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PDB8ov0 Diversity of CysD domains in gel-forming mucins.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D3531 D3533 D3543 E3545 N3610 Y3611
Binding residue
(residue number reindexed from 1)		D16 D18 D28 E30 N95 Y96
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8ov0, PDBe:8ov0, PDBj:8ov0
PDBsum8ov0
PubMed37526947
UniProtP98088|MUC5A_HUMAN Mucin-5AC (Gene Name=MUC5AC)

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