MolNFT v1 · #121250 · protein
Cycloalternan-forming enzyme from listeria monocytogenes in complex with maltopentaose
5HPO · LMO2446 protein: “Cycloalternan-forming enzyme from listeria monocytogenes in complex with maltopentaose”. X-ray diffraction, 4 ligands (MG, CA, GLC), 9 pockets (best druggability 0.63). MolNFT v1 #121250 on GenesisL1: 3D structure…
- PDB
- 5HPO
- 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
- MG, CA, GLC, CL
- Pockets
- 9 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | LMO2446 protein | protein | 1059 | 18% helix, 37% strand | Q8Y4J2 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A
- CA · Calcium ion · metal · chains A
- GLC · alpha-D-glucopyranose · ion · 11 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 343 | 0.63 | 0.79 | 48 | empty |
| 2 | 153 | 0.53 | 0.80 | 24 | GLC |
| 3 | 166 | 0.47 | 0.76 | 22 | empty |
| 4 | 83 | 0.44 | 0.80 | 28 | empty |
| 5 | 150 | 0.42 | 0.74 | 23 | empty |
Modifications
Observed in the structure: 29 modified (engineered).
Compared structures
- 5HPO · Cycloalternan-forming enzyme from Listeria monocytogenes in complex with maltopentaose · 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 5HPO · PDBe 5HPO · UniProt Q8Y4J2
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