MolNFT v1 · #153074 · protein
Crystal structure of bat (pteropus alecto) MHC class I ptal-N*01:01 in complex with hendra virus-derived peptide HEV2
6J2F: “Crystal structure of bat (pteropus alecto) MHC class I ptal-N*01:01 in complex with hendra virus-derived…”. X-ray diffraction, 6 pockets (best druggability 0.75). MolNFT v1 #153074 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6J2F
- Type
- protein
- Length
- 768 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ptal-N*01:01; Beta-2 microglobulin; HEV2
- UniProt
- A0A125R585, L5K3Y9
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Ptal-N*01:01 | protein | 277 | 28% helix, 39% strand | A0A125R585 |
| B, E | Beta-2 microglobulin | protein | 98 | 0% helix, 52% strand | L5K3Y9 |
| C, F | HEV2 | protein | 9 | 0% helix, 0% strand | — |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1122 | 0.75 | 0.78 | 90 | empty |
| 2 | 471 | 0.68 | 0.79 | 46 | empty |
| 3 | 516 | 0.68 | 0.78 | 58 | empty |
| 4 | 70 | 0.43 | 0.81 | 16 | empty |
| 5 | 77 | 0.41 | 0.80 | 17 | empty |
Interfaces
8 interfaces between chains.
- D–E · 1376 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1325 Ų buried · 23 hydrogen bonds · protein-protein
- D–F · 969 Ų buried · 22 hydrogen bonds · protein-protein
- A–C · 928 Ų buried · 21 hydrogen bonds · protein-protein
- A–D · 317 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6J2F · 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 6J2F · PDBe 6J2F · UniProt A0A125R585 · UniProt L5K3Y9
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