Research workbench
Crystal structure of the complex of the 3-mbt repeat domain of L3MBTL3 and UNC1215
Analyse Crystal structure of the complex of the 3-mbt repeat domain of L3MBTL3 and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FL6
- Type
- protein
- Length
- 615 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- LETHAL(3)MALIGNANT brain tumor-like protein 3
- UniProt
- Q96JM7
- Ligands
- UWN, UNX
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | LETHAL(3)MALIGNANT brain tumor-like protein 3 | protein | 309 | 17% helix, 32% strand | Q96JM7 |
| B | LETHAL(3)MALIGNANT brain tumor-like protein 3 | protein | 306 | 16% helix, 32% strand | Q96JM7 |
Ligands and binding sites
- UWN · [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} · ligand · 2 copies · chains A, B
- UNX · Unknown atom or ion · ion · 29 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 787 | 0.71 | 0.77 | 54 | UNX |
| 2 | 813 | 0.70 | 0.76 | 61 | UNX |
| 3 | 358 | 0.58 | 0.76 | 34 | UWN, UNX |
| 4 | 324 | 0.58 | 0.76 | 32 | UWN, UNX |
| 5 | 141 | 0.50 | 0.78 | 27 | UNX |
Interfaces
1 interface between chains.
- A–B · 609 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4FL6 · Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215 · the same entry in another collection · chain A against A, TM-score 1.00
- Q96JM7 · AlphaFold monomer V2.0 prediction for LETHAL(3)MALIGNANT brain tumor- like protein 3… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q96JM7
- Elsewhere: RCSB PDB 4FL6 · PDBe 4FL6 · UniProt Q96JM7
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