MolNFT v1 · #101456 · protein
Crystal structure of glycoside hydrolase family 5 mannosidase (E202A mutant) from rhizomucor miehei in complex with mannobiose
4NRS · Exo-beta-1,4-mannosidase: “Crystal structure of glycoside hydrolase family 5 mannosidase (E202A mutant) from rhizomucor miehei in…”. X-ray diffraction, 2 ligands (MAN, BMA), 4 pockets (best druggability 0.66). MolNFT v1 #101456 on…
- PDB
- 4NRS
- Type
- protein
- Length
- 831 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exo-beta-1,4-mannosidase
- EC
- 3.2.1.25
- Ligands
- MAN, BMA
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Exo-beta-1,4-mannosidase (EC 3.2.1.25) | protein | 416 | 41% helix, 14% strand | — |
| B | Exo-beta-1,4-mannosidase (EC 3.2.1.25) | protein | 415 | 40% helix, 14% strand | — |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 663 | 0.66 | 0.75 | 85 | empty |
| 2 | 188 | 0.65 | 0.84 | 21 | MAN, BMA |
| 3 | 187 | 0.64 | 0.84 | 20 | MAN, BMA |
| 4 | 111 | 0.37 | 0.74 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 577 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4NRS · Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase (E202A mutant) 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
- Elsewhere: RCSB PDB 4NRS · PDBe 4NRS
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.