MolNFT v1 · #175219 · protein
Structure of dla-88*001:01
7CJQ · MHC class I dla-88: “Structure of dla-88*001:01”. X-ray diffraction, 10 pockets (best druggability 0.76). MolNFT v1 #175219 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7CJQ
- Type
- protein
- Length
- 766 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MHC class I dla-88; Beta-2-microglobulin; Arg-thr-ile-ser-tyr-thr-tyr-pro-phe
- UniProt
- O46882, E2RN10
- Pockets
- 10 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | MHC class I dla-88 | protein | 275 | 26% helix, 39% strand | O46882 |
| B, E | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | E2RN10 |
| C, F | Arg-thr-ile-ser-tyr-thr-tyr-pro-phe | protein | 9 | 0% helix, 0% strand | — |
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1001 | 0.76 | 0.78 | 77 | empty |
| 2 | 52 | 0.72 | 0.99 | 19 | empty |
| 3 | 442 | 0.67 | 0.79 | 44 | empty |
| 4 | 553 | 0.66 | 0.77 | 55 | empty |
| 5 | 582 | 0.65 | 0.76 | 67 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1373 Ų buried · 21 hydrogen bonds · protein-protein
- D–E · 1325 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 974 Ų buried · 20 hydrogen bonds · protein-protein
- D–F · 963 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 227 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 7CJQ · Structure of DLA-88*001:04 · 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 O46882
- Every structure of UniProt E2RN10
- Elsewhere: RCSB PDB 7CJQ · PDBe 7CJQ · UniProt O46882 · UniProt E2RN10
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