MolNFT v1 · #98030 · protein
1.9 ångström resolution crystal structure of uncharacterized protein LMO2446 from listeria monocytogenes egd-E in complex with alpha-D- glucose, beta-D-glucose, magnesium and calcium
4KWU · LMO2446 protein: “1.9 ångström resolution crystal structure of uncharacterized protein LMO2446 from listeria monocytogenes…”. X-ray diffraction, 4 ligands (GLC, BGC, MG), 8 pockets (best druggability 0.64). MolNFT v1 #98030 on…
- PDB
- 4KWU
- Type
- protein
- Length
- 1,059 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- LMO2446 protein
- UniProt
- Q8Y4J2
- Ligands
- GLC, BGC, MG, CA
- Pockets
- 8 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | LMO2446 protein | protein | 1059 | 17% helix, 37% strand | Q8Y4J2 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 6 copies · chains A
- BGC · beta-D-glucopyranose · sugar · 4 copies · chains A
- MG · Magnesium ion · metal · 8 copies · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 366 | 0.64 | 0.79 | 54 | empty |
| 2 | 232 | 0.56 | 0.78 | 43 | GLC |
| 3 | 167 | 0.47 | 0.76 | 20 | BGC, GLC |
| 4 | 66 | 0.40 | 0.80 | 16 | empty |
| 5 | 109 | 0.38 | 0.75 | 20 | empty |
Modifications
Observed in the structure: 29 modified (engineered).
Compared structures
- 4KWU · 1.9 Angstrom resolution crystal structure of uncharacterized protein lmo2446 from… · 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 Q8Y4J2
- Elsewhere: RCSB PDB 4KWU · PDBe 4KWU · UniProt Q8Y4J2
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