MolNFT v1 · #87844 · protein
The structure of GH113 beta-mannanase aamana from alicyclobacillus acidocaldarius in complex with manifg and beta-1,4-mannobiose
4CD7 · Endo-beta-1,4-mannanase: “The structure of GH113 beta-mannanase aamana from alicyclobacillus acidocaldarius in complex with manifg and…”. X-ray diffraction, 3 ligands (IFM, BMA, MAN), 2 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 4CD7
- Type
- protein
- Length
- 628 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-beta-1,4-mannanase
- EC
- 3.2.1.78
- UniProt
- A5H1I6
- Ligands
- IFM, BMA, MAN
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-beta-1,4-mannanase (EC 3.2.1.78) | protein | 314 | 38% helix, 21% strand | A5H1I6 |
| B | Endo-beta-1,4-mannanase (EC 3.2.1.78) | protein | 314 | 38% helix, 21% strand | A5H1I6 |
Ligands and binding sites
- IFM · 5-hydroxymethyl-3,4-dihydroxypiperidine · ligand · 2 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 4 copies · chains A, B
- MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.73 | 0.76 | 75 | MAN, BMA, IFM |
| 2 | 252 | 0.56 | 0.77 | 29 | BMA, IFM |
Interfaces
1 interface between chains.
- A–B · 294 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4CD7 · The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in… · 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 A5H1I6
- Elsewhere: RCSB PDB 4CD7 · PDBe 4CD7 · UniProt A5H1I6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.