MolNFT v1 · #84040 · protein
Crystal structure of HLA-B*0801.N80I
3X13 · HLA class I histocompatibility antigen, B-8 alpha chain: “Crystal structure of HLA-B*0801.N80I”. X-ray diffraction, 3 pockets (best druggability 0.68). MolNFT v1 #84040 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3X13
- 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-8 alpha chain; Beta-2-microglobulin; Peptide
- UniProt
- P30460, P61769
- Pockets
- 3 · 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, B-8 alpha chain | protein | 276 | 28% helix, 40% strand | P30460 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| C | Peptide | protein | 9 | 0% helix, 0% strand | — |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 484 | 0.68 | 0.79 | 53 | empty |
| 2 | 131 | 0.49 | 0.79 | 19 | empty |
| 3 | 89 | 0.45 | 0.80 | 23 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1329 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 968 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
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 P30460
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 3X13 · PDBe 3X13 · UniProt P30460 · UniProt P61769
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