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Cryo-EM structure of human CALHM5 in the presence of rubidium red

Analyse Cryo-EM structure of human CALHM5 in the presence of rubidium red in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7D60
Type
protein
Length
3,168 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calcium homeostasis modulator protein 5
UniProt
Q8N5C1
Ligands
PA8
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 1 distinct chain · 69% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, KCalcium homeostasis modulator protein 5protein28869% helix, 0% strandQ8N5C1

Ligands and binding sites

  • PA8 · 1,2-dioctanoyl-sn-glycero-3-phosphate · ligand · 55 copies · chains A, B, K, C, D, E, F, G, H, I, J

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111120.800.8196PA8
210550.800.8192PA8
36350.780.8353empty
45610.770.8340empty
58300.770.8057empty

Interfaces

22 interfaces between chains.

  • G–H · 2651 Ų buried · 18 hydrogen bonds · protein-protein
  • A–K · 2650 Ų buried · 18 hydrogen bonds · protein-protein
  • F–G · 2648 Ų buried · 18 hydrogen bonds · protein-protein
  • E–F · 2647 Ų buried · 18 hydrogen bonds · protein-protein
  • B–C · 2646 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 33 disulfide (disulfide).

Compared structures

  • 7D60 · Cryo-EM Structure of human CALHM5 in the presence of rubidium red · the same entry in another collection · chain K against K, TM-score 1.00
  • Q8N5C1 · AlphaFold monomer V2.0 prediction for calcium homeostasis modulator protein 5 (Q8N5C1) · a predicted model of the same protein · chain B against A, TM-score 0.99

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