MolNFT v1 · #102954 · protein

Crystal structure of ATG1-ATG13 complex

4P1N · ATG1 tmit: “Crystal structure of ATG1-ATG13 complex”. X-ray diffraction, 9 pockets (best druggability 0.60). MolNFT v1 #102954 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4P1N
Type: protein
Length: 497 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATG1 tmit; ATG13 mim
Pockets: 9 · best druggability 0.60

Structure

x-ray diffraction · 4 distinct chains · 76% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ATG1 tmit	protein	190	79% helix, 0% strand	—
B	ATG1 tmit	protein	207	76% helix, 3% strand	—
C	ATG13 mim	protein	47	70% helix, 0% strand	—
D	ATG13 mim	protein	53	70% helix, 0% strand	—

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	177	0.60	0.83	30	empty
2	216	0.59	0.80	43	empty
3	308	0.58	0.77	39	empty
4	150	0.44	0.75	19	empty
5	64	0.36	0.78	15	empty

Interfaces

5 interfaces between chains.

B–D · 2296 Å² buried · 22 hydrogen bonds · protein-protein
A–C · 1813 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 838 Å² buried · 12 hydrogen bonds · protein-protein
B–C · 331 Å² buried · 3 hydrogen bonds · protein-protein
A–D · 71 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4P1N · Crystal structure of Atg1-Atg13 complex · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 4P1N · PDBe 4P1N

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.