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Structural and functional characterization of a calcium-activated cation channel from tsukamurella paurometabola

Analyse Structural and functional characterization of a calcium-activated cation… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5CBF
Type
protein
Length
612 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ion transport 2 domain protein
UniProt
D5UM26
Ligands
CA
Pockets
8 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FIon transport 2 domain proteinprotein10267% helix, 0% strandD5UM26

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · chains A, E, B, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15290.730.8275CA
22370.550.7723empty
32130.540.7721empty
41970.520.7619empty
52050.520.7624empty

Interfaces

8 interfaces between chains.

  • A–E · 1219 Ų buried · 3 hydrogen bonds · protein-protein
  • D–E · 1173 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 1151 Ų buried · 1 hydrogen bond · protein-protein
  • A–B · 1085 Ų buried · 2 hydrogen bonds · protein-protein
  • C–D · 181 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5CBF · Structural and Functional Characterization of a Calcium-activated Cation channel from… · the same entry in another collection · chain F against F, TM-score 1.00

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