Research workbench
Crystal structure of TL1A at 2.1 a
Analyse Crystal structure of TL1A at 2.1 a in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2RE9
- Type
- protein
- Length
- 492 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TNF superfamily ligand TL1A
- UniProt
- Q8NFE9
- Ligands
- MG
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | TNF superfamily ligand TL1A | protein | 164 | 2% helix, 48% strand | Q8NFE9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.82 | 0.97 | 24 | empty |
| 2 | 54 | 0.71 | 0.98 | 16 | GOL |
| 3 | 227 | 0.50 | 0.75 | 32 | empty |
| 4 | 137 | 0.41 | 0.74 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1414 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 1346 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 1341 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2RE9 · Crystal structure of TL1A at 2.1 A · 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
- Every structure of UniProt Q8NFE9
- Elsewhere: RCSB PDB 2RE9 · PDBe 2RE9 · UniProt Q8NFE9
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