MolNFT v1 · #105009 · protein
Crystal structure of HLA B*0801 in complex with ELR_MYM, elrrkmmym
4QRU · HLA class I histocompatibility antigen, B-8 alpha chain: “Crystal structure of HLA B*0801 in complex with ELR_MYM, elrrkmmym”. X-ray diffraction, 4 pockets (best druggability 0.67). MolNFT v1 #105009 on GenesisL1: 3D structure…
- PDB
- 4QRU
- Type
- protein
- Length
- 384 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, B-8 alpha chain; Beta-2-microglobulin; 55 kda…
- UniProt
- P30460, P61769, P03169
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 21% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, B-8 alpha chain | protein | 276 | 29% helix, 39% strand | P30460 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| C | 55 kda immediate-early protein 1 | protein | 9 | 0% helix, 0% strand | P03169 |
Ligands and binding sites
- ACT · Acetate ion · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 653 | 0.67 | 0.76 | 56 | empty |
| 2 | 162 | 0.47 | 0.77 | 28 | ACT |
| 3 | 72 | 0.40 | 0.79 | 23 | empty |
| 4 | 50 | 0.28 | 0.75 | 12 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1306 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 1031 Ų buried · 25 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 P03169
- Elsewhere: RCSB PDB 4QRU · PDBe 4QRU · UniProt P30460 · UniProt P61769 · UniProt P03169
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