MolNFT v1 · #181107 · protein
The PILB(N-TERMINAL_P70S mutant)-pilz complex of the type IV pilus from xanthomonas citri
7LKM · Pilus biogenesis protein: “The PILB(N-TERMINAL_P70S mutant)-pilz complex of the type IV pilus from xanthomonas citri”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.48). MolNFT v1 #181107 on GenesisL1: 3D…
- PDB
- 7LKM
- Type
- protein
- Length
- 516 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
- 6 · best druggability 0.48
Structure
x-ray diffraction · 4 distinct chains · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pilus biogenesis protein | protein | 149 | 56% helix, 14% strand | Q8PHL2 |
| B | Pilus biogenesis protein | protein | 148 | 56% helix, 15% strand | Q8PHL2 |
| C | Type IV fimbriae assembly protein | protein | 110 | 18% helix, 33% strand | Q8PND9 |
| D | Type IV fimbriae assembly protein | protein | 109 | 18% helix, 33% strand | Q8PND9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains C, A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 72 | 0.48 | 0.83 | 29 | empty |
| 2 | 127 | 0.47 | 0.78 | 34 | empty |
| 3 | 53 | 0.36 | 0.80 | 24 | empty |
| 4 | 52 | 0.35 | 0.79 | 15 | empty |
| 5 | 59 | 0.32 | 0.76 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1086 Ų buried · 20 hydrogen bonds · protein-protein
- B–D · 1055 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 310 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7LKM · The PilB(N-terminal_P70S mutant)-PilZ complex of the Type IV pilus from Xanthomonas citri · 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 7LKM · PDBe 7LKM · UniProt Q8PHL2 · UniProt Q8PND9
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