MolNFT v1 · #138849 · protein
Crystal structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1)
5WWJ · HLA class I histocompatibility antigen, a-24 alpha chain: “Crystal structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set…”. X-ray diffraction, 11 pockets (best druggability 0.68).…
- PDB
- 5WWJ
- Type
- protein
- Length
- 759 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, a-24 alpha chain; Beta-2-microglobulin…
- UniProt
- P05534, P61769
- Pockets
- 11 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 20% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | HLA class I histocompatibility antigen, a-24 alpha chain | protein | 274 | 28% helix, 39% strand | P05534 |
| B, D | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| E | Leu-tyr-lys-lys-leu-lys-arg-glu-met-thr-phe | protein | 6 | 0% helix, 0% strand | — |
| F | Leu-tyr-lys-lys-leu-lys-arg-glu-met-thr-phe | protein | 7 | 0% helix, 0% strand | — |
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 600 | 0.68 | 0.78 | 62 | empty |
| 2 | 529 | 0.68 | 0.78 | 47 | empty |
| 3 | 365 | 0.54 | 0.74 | 38 | empty |
| 4 | 74 | 0.51 | 0.84 | 18 | empty |
| 5 | 128 | 0.48 | 0.79 | 23 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1407 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1328 Ų buried · 24 hydrogen bonds · protein-protein
- C–F · 893 Ų buried · 12 hydrogen bonds · protein-protein
- A–E · 843 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 256 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 5WWJ · Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived… · the same entry in another collection · chain F against F, 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 P05534
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 5WWJ · PDBe 5WWJ · UniProt P05534 · UniProt P61769
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