MolNFT v1 · #147076 · protein

Structure of ATTPC1(DDE) in state 2

6E1P · Two pore calcium channel protein 1: “Structure of ATTPC1(DDE) in state 2”. Electron microscopy, 2 ligands (PLM, CA), 20 pockets (best druggability 0.88). MolNFT v1 #147076 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6E1P
Type: protein
Length: 1,292 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, CA
Pockets: 20 · best druggability 0.88

Structure

electron microscopy · 1 distinct chain · 68% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Two pore calcium channel protein 1	protein	646	68% helix, 0% strand	Q94KI8

Ligands and binding sites

PLM · Palmitic acid · ligand · 16 copies · chains A, B
CA · Calcium ion · metal · 5 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, 15 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	624	0.88	0.93	40	empty
2	1056	0.81	0.81	88	PLM
3	992	0.79	0.80	87	PLM
4	190	0.77	0.92	33	empty
5	167	0.76	0.92	37	empty

Interfaces

1 interface between chains.

A–B · 4029 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified, 4 lipid (phosphorylation, palmitoylation).

Compared structures

6E1P · Structure of AtTPC1(DDE) in state 2 · 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

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q94KI8
Elsewhere: RCSB PDB 6E1P · PDBe 6E1P · UniProt Q94KI8

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