Research workbench
Crystal Structure of HLA B*0801 in complex with ELN_YYM, ELNRKMIYM
Analyse Crystal Structure of HLA B*0801 in complex with ELN_YYM, ELNRKMIYM in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QRT
- Type
- protein
- Length
- 385 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.4
- Source
- Homo sapiens; SYNTHETIC CONSTRUCT
- Molecule
- HLA class I histocompatibility antigen, B-8 alpha chain; Beta-2-microglobulin; Major…
- UniProt
- P30460, P61769, Q9YRL8
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · resolution 1.4 · 3 distinct chains · 20% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, B-8 alpha chain | protein | 276 | 28% helix, 39% strand | P30460 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C | Major immediate-early protein | protein | 9 | 0% helix, 0% strand | Q9YRL8 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 619 | 0.68 | 0.77 | 59 | empty |
| 2 | 84 | 0.52 | 0.84 | 24 | empty |
| 3 | 92 | 0.44 | 0.80 | 23 | empty |
| 4 | 82 | 0.38 | 0.77 | 19 | empty |
| 5 | 61 | 0.32 | 0.76 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1366 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 984 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
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 P30460
- Every structure of UniProt P61769
- Every structure of UniProt Q9YRL8
- Elsewhere: RCSB PDB 4QRT · PDBe 4QRT · UniProt P30460 · UniProt P61769 · UniProt Q9YRL8
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