MolNFT v1 · #157248 · protein
Crystal structure of HLA-B*18:01 in complex with NP338 influenza peptide
6MT3 · HLA class I histocompatibility antigen, B-18 alpha chain: “Crystal structure of HLA-B*18:01 in complex with NP338 influenza peptide”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #157248 on GenesisL1: 3D…
- PDB
- 6MT3
- Type
- protein
- Length
- 385 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, B-18 alpha chain; NP338 peptide…
- UniProt
- P30466, P61769
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, B-18 alpha chain | protein | 276 | 28% helix, 39% strand | P30466 |
| B | NP338 peptide | protein | 9 | 0% helix, 0% strand | — |
| C | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 629 | 0.69 | 0.77 | 49 | empty |
| 2 | 206 | 0.53 | 0.78 | 39 | empty |
| 3 | 71 | 0.43 | 0.81 | 16 | empty |
| 4 | 83 | 0.43 | 0.79 | 23 | empty |
Interfaces
2 interfaces between chains.
- A–C · 1384 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 996 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6MT3 · Crystal Structure of HLA-B*18:01 in complex with NP338 influenza peptide · 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 C 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 P30466
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 6MT3 · PDBe 6MT3 · UniProt P30466 · UniProt P61769
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