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MolNFT v1 · #122027 · protein

Solution structure of the pore-forming region of C. elegans mitochondrial calcium uniporter (mcu)

5ID3: “Solution structure of the pore-forming region of C. elegans mitochondrial calcium uniporter (mcu)”. Solution nmr, 18 pockets (best druggability 0.85). MolNFT v1 #122027 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5ID3
Type
protein
Length
765 residues
Chains
5
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mitochondrial calcium uniporter
UniProt
Q21121
Pockets
18 · best druggability 0.85

Structure

solution nmr · 1 distinct chain · 58% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EMitochondrial calcium uniporterprotein15358% helix, 0% strandQ21121

Pockets

18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15230.850.9145empty
27310.850.8759empty
39950.780.7990empty
48780.770.8065empty
51670.760.9323empty

Interfaces

10 interfaces between chains.

  • A–B · 2098 Ų buried · 19 hydrogen bonds · protein-protein
  • D–E · 2001 Ų buried · 13 hydrogen bonds · protein-protein
  • A–E · 1945 Ų buried · 17 hydrogen bonds · protein-protein
  • B–C · 1908 Ų buried · 13 hydrogen bonds · protein-protein
  • C–D · 1902 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 5ID3 · Solution structure of the pore-forming region of C. elegans Mitochondrial Calcium… · the same entry in another collection · chain D against D, TM-score 1.00
  • Q21121 · AlphaFold monomer V2.0 prediction for calcium uniporter protein, mitochondrial (Q21121) · a predicted model of the same protein · chain A against A, TM-score 0.37

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