MolNFT v1 · #83551 · protein
Crystal structure analysis of plant exohydrolase
3WLP · Beta-D-glucan exohydrolase isoenzyme exoi: “Crystal structure analysis of plant exohydrolase”. X-ray diffraction, 4 ligands (MGL, GS1, NAG), 2 pockets (best druggability 0.55). MolNFT v1 #83551 on GenesisL1: 3D structure, binding…
- PDB
- 3WLP
- Type
- protein
- Length
- 602 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-D-glucan exohydrolase isoenzyme exoi
- EC
- 3.2.1.-
- UniProt
- Q9XEI3
- Ligands
- MGL, GS1, NAG, SO4
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-D-glucan exohydrolase isoenzyme exoi (EC 3.2.1.-) | protein | 602 | 38% helix, 12% strand | Q9XEI3 |
Ligands and binding sites
- MGL · methyl beta-D-glucopyranoside · ligand · chains A
- GS1 · 1-thio-beta-D-glucopyranose · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 10 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 124 | 0.55 | 0.83 | 19 | MGL, GS1 |
| 2 | 56 | 0.31 | 0.76 | 16 | empty |
Modifications
Observed in the structure: 2 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 3WLP · Crystal Structure Analysis of Plant Exohydrolase · 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 Q9XEI3
- Elsewhere: RCSB PDB 3WLP · PDBe 3WLP · UniProt Q9XEI3
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