Research workbench
The crystal structure of the gspk-gspi-gspj complex from enterotoxigenic escherichia COLI type 2 secretion system
Analyse The crystal structure of the gspk-gspi-gspj complex from enterotoxigenic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CI0
- Type
- protein
- Length
- 517 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pseudopilin gspi; Pseudopilin gspj; Pseudopilin gspk
- UniProt
- Q8VPC3, Q8VRM4, A7ZRI8
- Ligands
- CA, CL
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| I | Pseudopilin gspi | protein | 83 | 31% helix, 41% strand | Q8VPC3 |
| J | Pseudopilin gspj | protein | 154 | 12% helix, 41% strand | Q8VRM4 |
| K | Pseudopilin gspk | protein | 280 | 40% helix, 20% strand | A7ZRI8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.73 | 0.97 | 24 | empty |
| 2 | 430 | 0.69 | 0.81 | 42 | empty |
| 3 | 120 | 0.54 | 0.82 | 20 | empty |
| 4 | 54 | 0.53 | 0.88 | 19 | empty |
| 5 | 146 | 0.48 | 0.78 | 25 | empty |
Interfaces
3 interfaces between chains.
- J–K · 1918 Ų buried · 39 hydrogen bonds · protein-protein
- I–J · 744 Ų buried · 5 hydrogen bonds · protein-protein
- I–K · 719 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified, 1 disulfide (engineered, disulfide).
Compared structures
- 3CI0 · The Crystal Structure of the GspK-GspI-GspJ complex from enterotoxigenic Escherichia coli… · the same entry in another collection · chain I against I, TM-score 1.00
- Q8VPC3 · AlphaFold monomer V2.0 prediction for type II secretion system protein I (Q8VPC3) · a predicted model of the same protein · chain I against A, TM-score 0.98
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 Q8VPC3
- Every structure of UniProt Q8VRM4
- Every structure of UniProt A7ZRI8
- Elsewhere: RCSB PDB 3CI0 · PDBe 3CI0 · UniProt Q8VPC3 · UniProt Q8VRM4 · UniProt A7ZRI8
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