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MolNFT v1 · #147073 · protein

Structure of ATTPC1(DDE) reconstituted in saposin a

6E1M · Two pore calcium channel protein 1: “Structure of ATTPC1(DDE) reconstituted in saposin a”. Electron microscopy, 3 ligands (PLM, 3PH, CA), 20 pockets (best druggability 0.87). MolNFT v1 #147073 on GenesisL1: 3D structure, binding…

PDB
6E1M
Type
protein
Length
1,072 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Two pore calcium channel protein 1
UniProt
Q94KI8
Ligands
PLM, 3PH, CA
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 1 distinct chain · 65% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTwo pore calcium channel protein 1protein53665% helix, 0% strandQ94KI8

Ligands and binding sites

  • PLM · Palmitic acid · ligand · 14 copies · chains A, B
  • 3PH · 1,2-diacyl-glycerol-3-sn-phosphate · ligand · 2 copies · chains A, B
  • CA · Calcium ion · metal · 7 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16240.870.9243CA
25070.690.7844PLM
34840.680.7844PLM
47220.680.7674empty
54200.660.7932empty

Interfaces

1 interface between chains.

  • A–B · 3184 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 covalent, 6 modified, 3 lipid (covalent ligand, phosphorylation, palmitoylation).

Compared structures

  • 6E1M · Structure of AtTPC1(DDE) reconstituted in saposin A · the same entry in another collection · chain A against A, TM-score 1.00
  • Q94KI8 · AlphaFold monomer V2.0 prediction for two pore calcium channel protein 1 (Q94KI8) · a predicted model of the same protein · chain A against A, TM-score 0.94

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