MolNFT v1 · #84038 · protein
Crystal structure of HLA-B*57:01.I80N.L82R.R83G
3X11 · HLA class I histocompatibility antigen, B-57 alpha chain: “Crystal structure of HLA-B*57:01.I80N.L82R.R83G”. X-ray diffraction, 5 pockets (best druggability 0.69). MolNFT v1 #84038 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3X11
- 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-57 alpha chain; Beta-2-microglobulin; Ig kappa…
- UniProt
- P18465, P61769, P01834
- 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-57 alpha chain | protein | 276 | 27% helix, 39% strand | P18465 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| C | Ig kappa chain C region | protein | 9 | 0% helix, 0% strand | P01834 |
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 | 577 | 0.69 | 0.78 | 55 | empty |
| 2 | 95 | 0.45 | 0.80 | 23 | empty |
| 3 | 103 | 0.40 | 0.77 | 19 | empty |
| 4 | 66 | 0.36 | 0.78 | 16 | empty |
| 5 | 55 | 0.30 | 0.76 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1353 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 829 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3X11 · Crystal structure of HLA-B*57:01.I80N.L82R.R83G · 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
- P01834 · AlphaFold monomer V2.0 prediction for immunoglobulin kappa constant (P01834) · a predicted model of the same protein · chain C against A, TM-score 0.45
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 P18465
- Every structure of UniProt P61769
- Every structure of UniProt P01834
- Elsewhere: RCSB PDB 3X11 · PDBe 3X11 · UniProt P18465 · UniProt P61769 · UniProt P01834
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