MolNFT v1 · #159147 · protein
The crystal structure of the first half of the periplasmic protease pqql from escherichia COLI
6OFT · Probable zinc protease pqql: “The crystal structure of the first half of the periplasmic protease pqql from escherichia COLI”. X-ray diffraction, 2 ligands (PO4, CL), 9 pockets (best druggability 0.73). MolNFT v1 #159147 on…
- PDB
- 6OFT
- Type
- protein
- Length
- 937 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable zinc protease pqql
- EC
- 3.4.24.-
- UniProt
- P31828
- Ligands
- PO4, CL
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable zinc protease pqql (EC 3.4.24.-) | protein | 469 | 48% helix, 19% strand | P31828 |
| B | Probable zinc protease pqql (EC 3.4.24.-) | protein | 468 | 49% helix, 19% strand | P31828 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A, B
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 | 381 | 0.73 | 0.84 | 54 | CL |
| 2 | 579 | 0.66 | 0.76 | 45 | empty |
| 3 | 529 | 0.65 | 0.76 | 45 | empty |
| 4 | 306 | 0.64 | 0.81 | 41 | empty |
| 5 | 234 | 0.55 | 0.78 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1456 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 6OFT · The crystal structure of the first half of the periplasmic protease PqqL from Escherichia… · the same entry in another collection · chain A against A, TM-score 1.00
- P31828 · AlphaFold monomer V2.0 prediction for probable zinc protease pqql (P31828) · a predicted model of the same protein · chain B 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 P31828
- Elsewhere: RCSB PDB 6OFT · PDBe 6OFT · UniProt P31828
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