MolNFT v1 · #97609 · protein

Crystal structure of TSC1 core domain from S. pombe

4KK0 · Tuberous sclerosis 1 protein homolog: “Crystal structure of TSC1 core domain from S. pombe”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #97609 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4KK0
Type: protein
Length: 3,922 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tuberous sclerosis 1 protein homolog
UniProt: Q09778
Pockets: 20 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 68% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tuberous sclerosis 1 protein homolog	protein	403	67% helix, 1% strand	Q09778
B, C, D, E, F, G, H, I, J	Tuberous sclerosis 1 protein homolog	protein	391	69% helix, 1% strand	Q09778

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	773	0.79	0.83	84	empty
2	731	0.79	0.83	80	empty
3	749	0.79	0.83	77	empty
4	1015	0.79	0.80	85	empty
5	999	0.79	0.80	98	empty

Interfaces

24 interfaces between chains.

E–F · 1359 Å² buried · 7 hydrogen bonds · protein-protein
G–H · 1356 Å² buried · 8 hydrogen bonds · protein-protein
A–B · 1354 Å² buried · 8 hydrogen bonds · protein-protein
C–D · 1336 Å² buried · 7 hydrogen bonds · protein-protein
I–J · 1320 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 51 modified (engineered).

Compared structures

4KK0 · Crystal Structure of TSC1 core domain from S. pombe · the same entry in another collection · chain J against J, TM-score 1.00
Q09778 · AlphaFold monomer V2.0 prediction for tuberous sclerosis 1 protein homolog (Q09778) · a predicted model of the same protein · chain B 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
Every structure of UniProt Q09778
Elsewhere: RCSB PDB 4KK0 · PDBe 4KK0 · UniProt Q09778

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