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Structure of ATTPC1(DDE) in state 1

Analyse Structure of ATTPC1(DDE) in state 1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6E1N
Type: protein
Length: 1,278 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 · 67% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Two pore calcium channel protein 1	protein	639	67% helix, 0% strand	Q94KI8

Ligands and binding sites

PLM · Palmitic acid · ligand · 16 copies · chains A, B
3PH · 1,2-diacyl-glycerol-3-sn-phosphate · ligand · 2 copies · chains A, B
CA · Calcium ion · metal · 6 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	602	0.87	0.92	41	CA
2	1120	0.82	0.82	92	PLM, 3PH
3	976	0.81	0.82	78	PLM, 3PH
4	1108	0.79	0.81	89	empty
5	576	0.78	0.84	64	empty

Interfaces

1 interface between chains.

A–B · 3666 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 covalent, 6 lipid, 6 modified (covalent ligand, palmitoylation, phosphorylation).

Compared structures

6E1N · Structure of AtTPC1(DDE) in state 1 · 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 0.89

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 6E1N · PDBe 6E1N · UniProt Q94KI8

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