MolNFT v1 · #82424 · protein
Crystal structure of dextranase from streptococcus mutans in complex with 4,5-epoxypentyl alpha-D-glucopyranoside
3VMP: “Crystal structure of dextranase from streptococcus mutans in complex with 4,5-epoxypentyl…”. X-ray diffraction, 2 ligands (E5G, PO4), 4 pockets (best druggability 0.62). MolNFT v1 #82424 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3VMP
- Type
- protein
- Length
- 632 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dextranase
- EC
- 3.2.1.11
- UniProt
- F5BA50
- Ligands
- E5G, PO4
- Pockets
- 4 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dextranase (EC 3.2.1.11) | protein | 632 | 24% helix, 32% strand | F5BA50 |
Ligands and binding sites
- E5G · 5-hydroxypentyl alpha-D-glucopyranoside · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 336 | 0.62 | 0.78 | 39 | E5G |
| 2 | 171 | 0.50 | 0.78 | 18 | empty |
| 3 | 64 | 0.37 | 0.78 | 23 | empty |
| 4 | 80 | 0.36 | 0.76 | 23 | empty |
Compared structures
- 3VMP · Crystal structure of dextranase from Streptococcus mutans in complex with 4,5-epoxypentyl… · 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 F5BA50
- Elsewhere: RCSB PDB 3VMP · PDBe 3VMP · UniProt F5BA50
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