Research workbench
The PILB(N-TERMINAL_P70S mutant)-pilz complex (semet)
Analyse The PILB(N-TERMINAL_P70S mutant)-pilz complex (semet) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7LKN
- Type
- protein
- Length
- 514 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pilus biogenesis protein; Type IV fimbriae assembly protein
- UniProt
- Q8PHL2, Q8PND9
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.41
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pilus biogenesis protein | protein | 147 | 57% helix, 14% strand | Q8PHL2 |
| C | Type IV fimbriae assembly protein | protein | 111 | 18% helix, 33% strand | Q8PND9 |
| D | Type IV fimbriae assembly protein | protein | 109 | 18% helix, 34% strand | Q8PND9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, C, D, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.41 | 0.79 | 20 | empty |
| 2 | 63 | 0.35 | 0.77 | 16 | empty |
| 3 | 81 | 0.33 | 0.74 | 21 | empty |
| 4 | 56 | 0.28 | 0.74 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1088 Ų buried · 19 hydrogen bonds · protein-protein
- B–D · 1087 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 325 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 7LKN · The PilB(N-terminal_P70S mutant)-PilZ complex (SeMet) · 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 Q8PHL2
- Every structure of UniProt Q8PND9
- Elsewhere: RCSB PDB 7LKN · PDBe 7LKN · UniProt Q8PHL2 · UniProt Q8PND9
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