Research workbench
Structure of exot-spcs complex from pseudomonas aeruginosa in 2.2 ångström
Analyse Structure of exot-spcs complex from pseudomonas aeruginosa in 2.2 ångström in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6JNP
- Type
- protein
- Length
- 578 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exoenzyme T; Cest family type III secretion system chaperone
- UniProt
- A0A379I277, Q51450
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Exoenzyme T | protein | 57 | 42% helix, 9% strand | A0A379I277 |
| B, C, E, F | Cest family type III secretion system chaperone | protein | 116 | 30% helix, 28% strand | Q51450 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains B, C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1010 | 0.80 | 0.81 | 81 | empty |
| 2 | 181 | 0.74 | 0.91 | 30 | empty |
| 3 | 240 | 0.68 | 0.84 | 33 | GOL |
| 4 | 57 | 0.44 | 0.84 | 18 | empty |
| 5 | 79 | 0.37 | 0.77 | 17 | empty |
Interfaces
13 interfaces between chains.
- A–B · 1447 Ų buried · 16 hydrogen bonds · protein-protein
- D–E · 1436 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 1265 Ų buried · 16 hydrogen bonds · protein-protein
- E–F · 1263 Ų buried · 13 hydrogen bonds · protein-protein
- D–F · 1214 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6JNP · Structure of ExoT-SpcS Complex from Pseudomonas aeruginosa in 2.2 Angstrom · 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 A0A379I277
- Every structure of UniProt Q51450
- Elsewhere: RCSB PDB 6JNP · PDBe 6JNP · UniProt A0A379I277 · UniProt Q51450
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