MolNFT v1 · #14357 · protein
Crystal structure of HLA B*4402 in complex with HLA DPA*0201 peptide
1M6O · HLA class I histocompatibility antigen, bw-44(B- 12) B*4402…: “Crystal structure of HLA B*4402 in complex with HLA DPA*0201 peptide”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #14357 on GenesisL1: 3D…
- PDB
- 1M6O
- 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, bw-44(B- 12) B*4402 alpha chain…
- UniProt
- P30481, P01884
- 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, bw-44(B- 12) B*4402 alpha chain | protein | 276 | 28% helix, 40% strand | P30481 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P01884 |
| C | HLA DPA*0201 peptide | protein | 9 | 0% helix, 0% strand | — |
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 | 660 | 0.69 | 0.77 | 53 | empty |
| 2 | 190 | 0.51 | 0.78 | 35 | empty |
| 3 | 97 | 0.41 | 0.77 | 23 | empty |
| 4 | 64 | 0.33 | 0.76 | 15 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1290 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 938 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 1M6O · Crystal Structure of HLA B*4402 in complex with HLA DPA*0201 peptide · the same entry in another collection · chain A against A, 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 P30481
- Every structure of UniProt P01884
- Elsewhere: RCSB PDB 1M6O · PDBe 1M6O · UniProt P30481 · UniProt P01884
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