Research workbench
Cdia-CT/CDII toxin and immunity complex from burkholderia pseudomallei
Analyse Cdia-CT/CDII toxin and immunity complex from burkholderia pseudomallei in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4G6V
- Type
- protein
- Length
- 936 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ADHESIN/HEMOLYSIN; Cdii
- UniProt
- I2KQ03, H9T8H3
- Ligands
- BR
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | ADHESIN/HEMOLYSIN | protein | 132 | 31% helix, 22% strand | I2KQ03 |
| B, D | Cdii | protein | 103 | 45% helix, 24% strand | H9T8H3 |
| F, H | Cdii | protein | 101 | 44% helix, 25% strand | H9T8H3 |
Ligands and binding sites
- BR · Bromide ion · ion · 8 copies · chains A, C, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1025 | 0.84 | 0.85 | 113 | BR |
| 2 | 704 | 0.70 | 0.77 | 78 | empty |
| 3 | 656 | 0.69 | 0.77 | 72 | empty |
| 4 | 317 | 0.59 | 0.78 | 39 | empty |
| 5 | 81 | 0.55 | 0.86 | 27 | empty |
Interfaces
16 interfaces between chains.
- G–H · 1228 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 1226 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1177 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 1177 Ų buried · 25 hydrogen bonds · protein-protein
- D–F · 464 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4G6V · CdiA-CT/CdiI toxin and immunity complex from Burkholderia pseudomallei · 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 I2KQ03
- Every structure of UniProt H9T8H3
- Elsewhere: RCSB PDB 4G6V · PDBe 4G6V · UniProt I2KQ03 · UniProt H9T8H3
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