MolNFT v1 · #91403 · protein
Structure of the C-terminal domain of the type III effector XCV3220 (xopl)
4FC9 · Uncharacterized protein: “Structure of the C-terminal domain of the type III effector XCV3220 (xopl)”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.64). MolNFT v1 #91403 on GenesisL1: 3D structure, binding sites…
- PDB
- 4FC9
- Type
- protein
- Length
- 515 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q3BQL2
- Ligands
- CL
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Uncharacterized protein | protein | 175 | 49% helix, 4% strand | Q3BQL2 |
| A | Uncharacterized protein | protein | 171 | 50% helix, 4% strand | Q3BQL2 |
| C | Uncharacterized protein | protein | 169 | 49% helix, 4% strand | Q3BQL2 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains B, A, C
- EDO · 1,2-ethanediol · additive · 3 copies · chains B, A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 499 | 0.64 | 0.76 | 55 | EDO |
| 2 | 137 | 0.45 | 0.77 | 23 | empty |
| 3 | 137 | 0.45 | 0.76 | 26 | empty |
| 4 | 145 | 0.43 | 0.75 | 23 | empty |
| 5 | 58 | 0.26 | 0.72 | 15 | empty |
Interfaces
3 interfaces between chains.
- B–C · 551 Ų buried · 12 hydrogen bonds · protein-protein
- B–A · 249 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 142 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 4FC9 · Structure of the C-terminal domain of the type III effector Xcv3220 (XopL) · the same entry in another collection · chain B against B, 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 Q3BQL2
- Elsewhere: RCSB PDB 4FC9 · PDBe 4FC9 · UniProt Q3BQL2
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