MolNFT v1 · #153075 · protein
Crystal structure of bat (pteropus alecto) MHC class I ptal-N*01:01 in complex with ebola virus-derived peptide ebov-NP2
6J2G: “Crystal structure of bat (pteropus alecto) MHC class I ptal-N*01:01 in complex with ebola virus-derived…”. X-ray diffraction, 9 pockets (best druggability 0.77). MolNFT v1 #153075 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6J2G
- Type
- protein
- Length
- 774 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ptal-N*01:01; Beta-2-microglobulin; Ebov-NP2
- UniProt
- A0A125R585, P61769
- Pockets
- 9 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 18% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Ptal-N*01:01 | protein | 277 | 26% helix, 39% strand | A0A125R585 |
| B, E | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| C, F | Ebov-NP2 | protein | 11 | 0% helix, 0% strand | — |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 980 | 0.77 | 0.80 | 89 | empty |
| 2 | 496 | 0.69 | 0.79 | 51 | empty |
| 3 | 500 | 0.67 | 0.78 | 54 | empty |
| 4 | 53 | 0.45 | 0.84 | 18 | empty |
| 5 | 84 | 0.42 | 0.79 | 18 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1362 Ų buried · 22 hydrogen bonds · protein-protein
- D–E · 1354 Ų buried · 23 hydrogen bonds · protein-protein
- D–F · 1013 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 983 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 299 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6J2G · Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola… · the same entry in another collection · chain F against F, 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
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 P61769
- Elsewhere: RCSB PDB 6J2G · PDBe 6J2G · UniProt A0A125R585 · UniProt P61769
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