Research workbench
Single-chain human april-baff-baff heterotrimer
Analyse Single-chain human april-baff-baff heterotrimer in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZCH
- Type
- protein
- Length
- 841 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tumor necrosis factor ligand superfamily member 13,TUMOR necrosis factor ligand…
- UniProt
- O75888, Q9Y275
- Pockets
- 11 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tumor necrosis factor ligand superfamily member 13,TUMOR necrosis factor ligand superfamily member 13B,TUMOR necrosis factor ligand superfamily member 13B | protein | 422 | 0% helix, 59% strand | O75888, Q9Y275 |
| B | Tumor necrosis factor ligand superfamily member 13,TUMOR necrosis factor ligand superfamily member 13B,TUMOR necrosis factor ligand superfamily member 13B | protein | 419 | 0% helix, 59% strand | O75888, Q9Y275 |
Ligands and binding sites
- 144 · Tris-hydroxymethyl-methyl-ammonium · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 450 | 0.63 | 0.77 | 45 | empty |
| 2 | 188 | 0.62 | 0.84 | 35 | empty |
| 3 | 188 | 0.56 | 0.80 | 29 | empty |
| 4 | 163 | 0.52 | 0.80 | 26 | empty |
| 5 | 62 | 0.51 | 0.86 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 591 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 4ZCH · Single-chain human APRIL-BAFF-BAFF Heterotrimer · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y275 · AlphaFold monomer V2.0 prediction for tumor necrosis factor ligand superfamily member 13B… · a predicted model of the same protein · chain B against A, TM-score 0.35
- O75888 · AlphaFold monomer V2.0 prediction for tumor necrosis factor ligand superfamily member 13… · a predicted model of the same protein · chain B against A, TM-score 0.33
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 O75888
- Every structure of UniProt Q9Y275
- Elsewhere: RCSB PDB 4ZCH · PDBe 4ZCH · UniProt O75888 · UniProt Q9Y275
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