MolNFT v1 · #71874 · protein
Crystal structure of MHC class I HLA-A2 molecule complexed with hcmv PP65-495-503 nonapeptide V6G variant
3MRD · HLA class I histocompatibility antigen, a-2 alpha chain: “Crystal structure of MHC class I HLA-A2 molecule complexed with hcmv PP65-495-503 nonapeptide V6G variant”. X-ray diffraction, 4 pockets (best druggability 0.68). MolNFT v1…
- PDB
- 3MRD
- Type
- protein
- Length
- 382 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, a-2 alpha chain; Beta-2-microglobulin; 9-meric…
- UniProt
- P01892, P61769, Q6SW59
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 274 | 27% helix, 40% strand | P01892 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| P | 9-meric peptide from tegument protein PP65 | protein | 9 | 0% helix, 0% strand | Q6SW59 |
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 | 618 | 0.68 | 0.77 | 61 | empty |
| 2 | 181 | 0.53 | 0.79 | 33 | empty |
| 3 | 94 | 0.42 | 0.78 | 19 | empty |
| 4 | 70 | 0.36 | 0.77 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1321 Ų buried · 24 hydrogen bonds · protein-protein
- A–P · 792 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3MRD · Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503… · 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 0.97
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 P61769
- Every structure of UniProt Q6SW59
- Elsewhere: RCSB PDB 3MRD · PDBe 3MRD · UniProt P01892 · UniProt P61769 · UniProt Q6SW59
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