MolNFT v1 · #109617 · protein
Crystal structure of BAG6-UBL4A complex
4X86 · Ubiquitin-like protein 4A: “Crystal structure of BAG6-UBL4A complex”. X-ray diffraction, 2 ligands (CPS, SO4), 4 pockets (best druggability 0.47). MolNFT v1 #109617 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4X86
- Type
- protein
- Length
- 107 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ubiquitin-like protein 4A; Large proline-rich protein BAG6
- UniProt
- P11441, P46379
- Ligands
- CPS, SO4
- Pockets
- 4 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ubiquitin-like protein 4A | protein | 51 | 86% helix, 0% strand | P11441 |
| B | Large proline-rich protein BAG6 | protein | 56 | 70% helix, 0% strand | P46379 |
Ligands and binding sites
- CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.47 | 0.84 | 18 | empty |
| 2 | 96 | 0.37 | 0.74 | 12 | CPS, SO4 |
| 3 | 50 | 0.31 | 0.77 | 13 | SO4 |
| 4 | 59 | 0.29 | 0.75 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 1262 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4X86 · Crystal structure of BAG6-Ubl4a complex · the same entry in another collection · chain A against A, TM-score 1.00
- P46379 · AlphaFold monomer V2.0 prediction for large proline-rich protein BAG6 (P46379) · a predicted model of the same protein · chain B against A, TM-score 0.84
- P11441 · AlphaFold monomer V2.0 prediction for ubiquitin-like protein 4A (P11441) · a predicted model of the same protein · chain A against A, TM-score 0.80
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 P11441
- Every structure of UniProt P46379
- Elsewhere: RCSB PDB 4X86 · PDBe 4X86 · UniProt P11441 · UniProt P46379
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