MolNFT v1 · #122519 · protein
Crystal structure of a complex between the human adenovirus type 4 E3- 19K protein and MHC class molecule HLA-A2/TAX
5IRO · HLA class I histocompatibility antigen, a-2 alpha chain: “Crystal structure of a complex between the human adenovirus type 4 E3- 19K protein and MHC class molecule…”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 5IRO
- Type
- protein
- Length
- 2,811 residues
- Chains
- 24
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, a-2 alpha chain; Tax protein…
- UniProt
- P01892, Q80817, P61769, Q8BEL5
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 11 distinct chains · 20% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 264 | 23% helix, 23% strand | P01892 |
| B, F, J, N, R, V | Tax protein | protein | 9 | 0% helix, 0% strand | Q80817 |
| C | Beta-2-microglobulin | protein | 96 | 0% helix, 45% strand | P61769 |
| D | E3 19 kda protein | protein | 102 | 11% helix, 34% strand | Q8BEL5 |
| E | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 268 | 23% helix, 24% strand | P01892 |
| G, K, O, S, W | Beta-2-microglobulin | protein | 98 | 0% helix, 46% strand | P61769 |
| H, L, P, T, X | E3 19 kda protein | protein | 103 | 7% helix, 34% strand | Q8BEL5 |
| I | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 252 | 24% helix, 24% strand | P01892 |
| M | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 265 | 25% helix, 25% strand | P01892 |
| Q | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 259 | 25% helix, 23% strand | P01892 |
| U | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 246 | 24% helix, 26% strand | P01892 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1114 | 0.79 | 0.81 | 117 | empty |
| 2 | 861 | 0.78 | 0.81 | 81 | empty |
| 3 | 911 | 0.76 | 0.79 | 92 | empty |
| 4 | 484 | 0.76 | 0.84 | 71 | empty |
| 5 | 479 | 0.76 | 0.84 | 65 | empty |
Interfaces
48 interfaces between chains.
- U–W · 1285 Ų buried · 12 hydrogen bonds · protein-protein
- I–K · 1231 Ų buried · 7 hydrogen bonds · protein-protein
- M–O · 1202 Ų buried · 10 hydrogen bonds · protein-protein
- Q–S · 1200 Ų buried · 6 hydrogen bonds · protein-protein
- E–G · 1171 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide (disulfide).
Compared structures
- 5IRO · Crystal structure of a complex between the Human adenovirus type 4 E3-19K protein and MHC… · the same entry in another collection · chain K against K, TM-score 1.00
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 P01892
- Every structure of UniProt Q80817
- Every structure of UniProt P61769
- Every structure of UniProt Q8BEL5
- Elsewhere: RCSB PDB 5IRO · PDBe 5IRO · UniProt P01892 · UniProt Q80817 · UniProt P61769 · UniProt Q8BEL5
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