MolNFT v1 · #114950 · protein
Crystal structure of the complex of human ATG101-ATG13 horma domain
5C50 · Autophagy-related protein 101: “Crystal structure of the complex of human ATG101-ATG13 horma domain”. X-ray diffraction, 1 ligand (BEN), 3 pockets (best druggability 0.52). MolNFT v1 #114950 on GenesisL1: 3D structure, binding sites…
- PDB
- 5C50
- Type
- protein
- Length
- 383 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Autophagy-related protein 101; Autophagy-related protein 13
- UniProt
- Q9BSB4, O75143
- Ligands
- BEN
- Pockets
- 3 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Autophagy-related protein 101 | protein | 198 | 36% helix, 33% strand | Q9BSB4 |
| B | Autophagy-related protein 13 | protein | 185 | 30% helix, 30% strand | O75143 |
Ligands and binding sites
- BEN · Benzamidine · ligand · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 172 | 0.52 | 0.79 | 26 | empty |
| 2 | 140 | 0.44 | 0.76 | 21 | empty |
| 3 | 59 | 0.26 | 0.72 | 15 | BEN |
Interfaces
1 interface between chains.
- A–B · 1639 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 5C50 · Crystal structure of the complex of human Atg101-Atg13 HORMA domain · the same entry in another collection · chain A against A, TM-score 1.00
- O75143 · AlphaFold monomer V2.0 prediction for autophagy-related protein 13 (O75143) · a predicted model of the same protein · chain B against A, TM-score 0.98
- Q9BSB4 · AlphaFold monomer V2.0 prediction for autophagy-related protein 101 (Q9BSB4) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q9BSB4
- Every structure of UniProt O75143
- Elsewhere: RCSB PDB 5C50 · PDBe 5C50 · UniProt Q9BSB4 · UniProt O75143
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