MolNFT v1 · #77701 · protein
Crystal structure of hyaloperonospora arabidopsidis ATR1 effector domain
3RMR · Avirulence protein: “Crystal structure of hyaloperonospora arabidopsidis ATR1 effector domain”. X-ray diffraction, 7 pockets (best druggability 0.78). MolNFT v1 #77701 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3RMR
- Type
- protein
- Length
- 702 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Avirulence protein
- UniProt
- Q4VKJ6
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Avirulence protein | protein | 236 | 73% helix, 0% strand | Q4VKJ6 |
| B | Avirulence protein | protein | 231 | 73% helix, 0% strand | Q4VKJ6 |
| C | Avirulence protein | protein | 235 | 73% helix, 0% strand | Q4VKJ6 |
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1102 | 0.78 | 0.80 | 84 | empty |
| 2 | 297 | 0.55 | 0.76 | 29 | empty |
| 3 | 67 | 0.40 | 0.80 | 19 | empty |
| 4 | 54 | 0.38 | 0.80 | 18 | empty |
| 5 | 94 | 0.38 | 0.76 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1483 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 1257 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 299 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 3RMR · Crystal structure of Hyaloperonospora arabidopsidis ATR1 effector domain · 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 Q4VKJ6
- Elsewhere: RCSB PDB 3RMR · PDBe 3RMR · UniProt Q4VKJ6
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