MolNFT v1 · #59379 · protein
Crystal structure of HLA B*3508 in complex with a hcmv 8-mer peptide from the PP65 protein
3BWA · HLA class I histocompatibility antigen, B-35 alpha chain: “Crystal structure of HLA B*3508 in complex with a hcmv 8-mer peptide from the PP65 protein”. X-ray diffraction, 5 pockets (best druggability 0.69). MolNFT v1 #59379 on…
- PDB
- 3BWA
- Type
- protein
- Length
- 384 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, B-35 alpha chain; Beta-2-microglobulin; Fpt…
- UniProt
- P30685, P61769, P06725
- Pockets
- 5 · 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-35 alpha chain | protein | 276 | 27% helix, 39% strand | P30685 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C | Fpt peptide from 65 kda lower matrix phosphoprotein | protein | 8 | 0% helix, 0% strand | P06725 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 615 | 0.69 | 0.78 | 52 | empty |
| 2 | 138 | 0.44 | 0.76 | 22 | empty |
| 3 | 70 | 0.44 | 0.81 | 16 | empty |
| 4 | 90 | 0.41 | 0.78 | 25 | empty |
| 5 | 53 | 0.33 | 0.78 | 17 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1402 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 788 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3BWA · Crystal Structure of HLA B*3508 in complex with a HCMV 8-mer peptide from the pp65 protein · 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 0.98
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 P30685
- Every structure of UniProt P61769
- Every structure of UniProt P06725
- Elsewhere: RCSB PDB 3BWA · PDBe 3BWA · UniProt P30685 · UniProt P61769 · UniProt P06725
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