MolNFT v1 · #15372 · protein
A natural selected dimorphism in HLA B*44 alters self, peptide reportoire and T cell recognition.
1N2R · HLA class I histocompatibility antigen, bw-44(B- 12) B*4403…: “A natural selected dimorphism in HLA B*44 alters self, peptide reportoire and T cell recognition.”. X-ray diffraction, 4 pockets (best druggability 0.68). MolNFT v1…
- PDB
- 1N2R
- 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*4403 alpha chain…
- UniProt
- P30481, P61769
- Pockets
- 4 · best druggability 0.68
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*4403 alpha chain | protein | 276 | 28% helix, 39% strand | P30481 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| C | HLA DPA*0201 peptide | protein | 9 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACY · Acetic acid · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 635 | 0.68 | 0.77 | 58 | empty |
| 2 | 139 | 0.48 | 0.78 | 23 | empty |
| 3 | 109 | 0.42 | 0.77 | 23 | empty |
| 4 | 67 | 0.37 | 0.78 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1303 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 917 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 1N2R · A natural selected dimorphism in HLA B*44 alters self, peptide reportoire and T cell… · 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 P30481
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 1N2R · PDBe 1N2R · UniProt P30481 · UniProt P61769
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