MolNFT v1 · #125910 · protein
Crystal structure of self-complemented psaa, the major subunit of pH 6 antigen from yersinia pests, in complex with choline
5LN4 · PH 6 ANTIGEN,PH 6 antigen: “Crystal structure of self-complemented psaa, the major subunit of pH 6 antigen from yersinia pests, in…”. X-ray diffraction, 1 ligand (CHT), 2 pockets (best druggability 0.39). MolNFT v1 #125910 on…
- PDB
- 5LN4
- Type
- protein
- Length
- 399 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PH 6 ANTIGEN,PH 6 antigen
- UniProt
- P31522
- Ligands
- CHT
- Pockets
- 2 · best druggability 0.39
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | PH 6 ANTIGEN,PH 6 antigen | protein | 133 | 5% helix, 59% strand | P31522 |
Ligands and binding sites
- CHT · Choline ion · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 114 | 0.39 | 0.75 | 20 | CHT |
| 2 | 82 | 0.37 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 325 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5LN4 · Crystal structure of self-complemented PsaA, the major subunit of pH 6 antigen from… · the same entry in another collection · chain C against C, TM-score 1.00
- P31522 · AlphaFold monomer V2.0 prediction for pH 6 antigen (P31522) · a predicted model of the same protein · chain A against A, TM-score 0.83
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 P31522
- Elsewhere: RCSB PDB 5LN4 · PDBe 5LN4 · UniProt P31522
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