Research workbench
Crystal structure of HLA B*4405 in complex with eeylkawtf, a mimotope
Analyse Crystal structure of HLA B*4405 in complex with eeylkawtf, a mimotope in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KPQ
- 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-44 alpha chain; Beta-2-microglobulin…
- UniProt
- P30481, P61769
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, B-44 alpha chain | protein | 276 | 26% helix, 39% strand | P30481 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| C | Eeylkawtf, mimotope peptide | protein | 9 | 0% helix, 0% strand | — |
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 | 655 | 0.68 | 0.77 | 56 | empty |
| 2 | 192 | 0.51 | 0.77 | 32 | empty |
| 3 | 57 | 0.40 | 0.81 | 17 | empty |
| 4 | 73 | 0.37 | 0.77 | 17 | empty |
| 5 | 60 | 0.29 | 0.74 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1328 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 956 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3KPQ · Crystal Structure of HLA B*4405 in complex with EEYLKAWTF, a mimotope · the same entry in another collection · chain A against A, TM-score 1.00
- P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P30481
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 3KPQ · PDBe 3KPQ · UniProt P30481 · UniProt P61769
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