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Different transition state conformations for the hydrolysis of beta- mannosides and beta-glucosides in the rice OS7BGLU26 family GH1 beta- MANNOSIDASE/BETA-glucosidase
Analyse Different transition state conformations for the hydrolysis of beta- mannosides… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4RE2
- Type
- protein
- Length
- 482 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-MANNOSIDASE/BETA-glucosidase
- EC
- 3.2.1.25
- UniProt
- B5ABY0
- Ligands
- MVL
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-MANNOSIDASE/BETA-glucosidase (EC 3.2.1.25) | protein | 482 | 45% helix, 16% strand | B5ABY0 |
Ligands and binding sites
- MVL · (5R,6R,7S,8R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 385 | 0.76 | 0.86 | 38 | MVL, EPE |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4RE2 · Different transition state conformations for the hydrolysis of beta-mannosides and… · 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 B5ABY0
- Elsewhere: RCSB PDB 4RE2 · PDBe 4RE2 · UniProt B5ABY0
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