MolNFT v1 · #86869 · protein
Crystal structure of the flax-rust effector avrm-a
4BJN: “Crystal structure of the flax-rust effector avrm-a”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #86869 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4BJN
- Type
- protein
- Length
- 1,722 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Avrm-a
- UniProt
- Q2MV52
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 8 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Avrm-a | protein | 222 | 73% helix, 0% strand | Q2MV52 |
| B | Avrm-a | protein | 219 | 73% helix, 0% strand | Q2MV52 |
| C | Avrm-a | protein | 211 | 75% helix, 0% strand | Q2MV52 |
| D | Avrm-a | protein | 203 | 77% helix, 0% strand | Q2MV52 |
| E | Avrm-a | protein | 222 | 75% helix, 0% strand | Q2MV52 |
| F | Avrm-a | protein | 206 | 75% helix, 0% strand | Q2MV52 |
| G | Avrm-a | protein | 223 | 74% helix, 0% strand | Q2MV52 |
| H | Avrm-a | protein | 216 | 73% helix, 0% strand | Q2MV52 |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1003 | 0.84 | 0.85 | 92 | empty |
| 2 | 765 | 0.81 | 0.84 | 58 | empty |
| 3 | 440 | 0.71 | 0.82 | 64 | empty |
| 4 | 336 | 0.71 | 0.84 | 43 | empty |
| 5 | 345 | 0.71 | 0.83 | 44 | empty |
Interfaces
12 interfaces between chains.
- E–H · 2077 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 2046 Ų buried · 23 hydrogen bonds · protein-protein
- A–D · 532 Ų buried · 2 hydrogen bonds · protein-protein
- E–G · 464 Ų buried · 8 hydrogen bonds · protein-protein
- D–F · 464 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4BJN · Crystal structure of the flax-rust effector AvrM-A · 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 Q2MV52
- Elsewhere: RCSB PDB 4BJN · PDBe 4BJN · UniProt Q2MV52
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