MolNFT v1 · #154371 · protein
Crystal structure of the type III effector xopai from xanthomonas axonopodis pv. citri - a 70 residue N-terminal truncation
6K94: “Crystal structure of the type III effector xopai from xanthomonas axonopodis pv. citri - a 70 residue…”. X-ray diffraction, 13 pockets (best druggability 0.80). MolNFT v1 #154371 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6K94
- Type
- protein
- Length
- 898 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type III effector xopai
- UniProt
- Q8PHM1
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Type III effector xopai | protein | 224 | 47% helix, 20% strand | Q8PHM1 |
| B | Type III effector xopai | protein | 226 | 45% helix, 19% strand | Q8PHM1 |
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 957 | 0.80 | 0.82 | 80 | empty |
| 2 | 809 | 0.74 | 0.79 | 60 | empty |
| 3 | 116 | 0.71 | 0.92 | 27 | empty |
| 4 | 293 | 0.59 | 0.78 | 23 | empty |
| 5 | 207 | 0.57 | 0.79 | 25 | empty |
Interfaces
5 interfaces between chains.
- A–B · 682 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 594 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 555 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 292 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 182 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6K94 · Crystal structure of the type III effector XopAI from Xanthomonas axonopodis pv. citri… · 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 Q8PHM1
- Elsewhere: RCSB PDB 6K94 · PDBe 6K94 · UniProt Q8PHM1
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