MolNFT v1 · #98799 · protein
Crystal structure of pseudomonas aeruginosa lectin leca complexed with gala-wky at 1.64 a resolution
4LKF · Pa-I galactophilic lectin: “Crystal structure of pseudomonas aeruginosa lectin leca complexed with gala-wky at 1.64 a resolution”. X-ray diffraction, 3 ligands (PHB, GAL, CA), 1 pocket (best druggability 0.60). MolNFT v1 #98799 on…
- PDB
- 4LKF
- Type
- protein
- Length
- 245 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pa-I galactophilic lectin; Peptide wkyl
- UniProt
- Q05097
- Ligands
- PHB, GAL, CA
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pa-I galactophilic lectin | protein | 121 | 2% helix, 49% strand | Q05097 |
| C | Peptide wkyl | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- PHB · P-hydroxybenzoic acid · ligand · 2 copies · chains A, C, B
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 129 | 0.60 | 0.85 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1029 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4LKF · Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with GalA-WKY at 1.64 A… · the same entry in another collection · chain A against A, TM-score 1.00
- Q05097 · AlphaFold monomer V2.0 prediction for pa-I galactophilic lectin (Q05097) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q05097
- Elsewhere: RCSB PDB 4LKF · PDBe 4LKF · UniProt Q05097
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.