MolNFT v1 · #79953 · protein
Crystal structure of the vaccinia derived peptide A11R in complex with the murine MHC class I H-2 kb
3TIE · H-2 class I histocompatibility antigen, K-B alpha chain: “Crystal structure of the vaccinia derived peptide A11R in complex with the murine MHC class I H-2 kb”. X-ray diffraction, 14 pockets (best druggability 0.67). MolNFT v1…
- PDB
- 3TIE
- Type
- protein
- Length
- 768 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- H-2 class I histocompatibility antigen, K-B alpha chain; Beta-2-microglobulin; Vaccinia…
- UniProt
- P01901, P61769
- Pockets
- 14 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | H-2 class I histocompatibility antigen, K-B alpha chain | protein | 277 | 26% helix, 39% strand | P01901 |
| B, E | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| C, F | Vaccinia derived octamer peptide | protein | 8 | 0% helix, 0% strand | — |
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 681 | 0.67 | 0.76 | 54 | empty |
| 2 | 706 | 0.66 | 0.75 | 59 | empty |
| 3 | 96 | 0.53 | 0.83 | 20 | empty |
| 4 | 167 | 0.51 | 0.78 | 23 | empty |
| 5 | 97 | 0.50 | 0.82 | 20 | empty |
Interfaces
5 interfaces between chains.
- D–E · 1265 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1255 Ų buried · 22 hydrogen bonds · protein-protein
- D–F · 818 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 818 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 705 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3TIE · Crystal structure of the vaccinia derived peptide A11R in complex with the murine MHC… · 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 E against A, TM-score 0.99
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 P01901
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 3TIE · PDBe 3TIE · UniProt P01901 · UniProt P61769
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