MolNFT v1 · #153072 · protein
Crystal structure of bat (pteropus alecto) MHC class I ptal-N*01:01 in complex with hendra virus-derived peptide HEV1
6J2D: “Crystal structure of bat (pteropus alecto) MHC class I ptal-N*01:01 in complex with hendra virus-derived…”. X-ray diffraction, 4 pockets (best druggability 0.66). MolNFT v1 #153072 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6J2D
- Type
- protein
- Length
- 382 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ptal-N*01:01; Beta-2 microglobulin; HEV1
- UniProt
- A0A125R585, L5K3Y9
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 21% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ptal-N*01:01 | protein | 276 | 29% helix, 39% strand | A0A125R585 |
| B | Beta-2 microglobulin | protein | 98 | 0% helix, 51% strand | L5K3Y9 |
| C | HEV1 | protein | 8 | 0% helix, 0% strand | — |
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 | 451 | 0.66 | 0.79 | 49 | empty |
| 2 | 71 | 0.41 | 0.80 | 18 | empty |
| 3 | 107 | 0.40 | 0.76 | 16 | empty |
| 4 | 50 | 0.33 | 0.78 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1309 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 872 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6J2D · Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with… · 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 A0A125R585
- Every structure of UniProt L5K3Y9
- Elsewhere: RCSB PDB 6J2D · PDBe 6J2D · UniProt A0A125R585 · UniProt L5K3Y9
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