MolNFT v1 · #112033 · protein
Crystal structure of AVRRXO1-ORF1:-ORF2 with ATP
4Z8U: “Crystal structure of AVRRXO1-ORF1:-ORF2 with ATP”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.82). MolNFT v1 #112033 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Z8U
- Type
- protein
- Length
- 430 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AVRRXO1-ORF1; AVRRXO1-ORF2
- UniProt
- Q6TKR8, Q6TKR9
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AVRRXO1-ORF1 | protein | 332 | 53% helix, 13% strand | Q6TKR8 |
| B | AVRRXO1-ORF2 | protein | 98 | 64% helix, 1% strand | Q6TKR9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A
- GOL · Glycerol · additive · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1056 | 0.82 | 0.83 | 108 | SO4, GOL |
| 2 | 263 | 0.62 | 0.81 | 29 | empty |
| 3 | 160 | 0.55 | 0.81 | 27 | empty |
| 4 | 64 | 0.37 | 0.78 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1935 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 modified (engineered).
Compared structures
- 4Z8U · CRYSTAL STRUCTURE OF AvrRxo1-ORF1:-ORF2 WITH ATP · 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 Q6TKR8
- Every structure of UniProt Q6TKR9
- Elsewhere: RCSB PDB 4Z8U · PDBe 4Z8U · UniProt Q6TKR8 · UniProt Q6TKR9
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