MolNFT v1 · #104831 · protein
Crystal structure of type III effector protein exou (exou)
4QMK · Type III secretion system effector protein exou: “Crystal structure of type III effector protein exou (exou)”. X-ray diffraction, 16 pockets (best druggability 0.57). MolNFT v1 #104831 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4QMK
- Type
- protein
- Length
- 1,037 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type III secretion system effector protein exou
- UniProt
- I2BZ03
- Pockets
- 16 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Type III secretion system effector protein exou | protein | 528 | 56% helix, 12% strand | I2BZ03 |
| B | Type III secretion system effector protein exou | protein | 509 | 59% helix, 12% strand | I2BZ03 |
Ligands and binding sites
- BME · Beta-mercaptoethanol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 123 | 0.57 | 0.83 | 23 | BME |
| 2 | 182 | 0.51 | 0.78 | 27 | empty |
| 3 | 146 | 0.49 | 0.79 | 21 | empty |
| 4 | 168 | 0.48 | 0.77 | 26 | empty |
| 5 | 163 | 0.48 | 0.77 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 973 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 4QMK · Crystal structure of type III effector protein ExoU (exoU) · 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 I2BZ03
- Elsewhere: RCSB PDB 4QMK · PDBe 4QMK · UniProt I2BZ03
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