MolNFT v1 · #152590 · protein
The apo-structure of endo-beta-1,2-glucanase from talaromyces funiculosus
6IMU: “The apo-structure of endo-beta-1,2-glucanase from talaromyces funiculosus”. X-ray diffraction, 1 ligand (NAG), 3 pockets (best druggability 0.79). MolNFT v1 #152590 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IMU
- Type
- protein
- Length
- 987 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-beta-1,2-glucanase
- EC
- 3.2.1.71
- Ligands
- NAG
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-beta-1,2-glucanase (EC 3.2.1.71) | protein | 494 | 48% helix, 15% strand | — |
| B | Endo-beta-1,2-glucanase (EC 3.2.1.71) | protein | 493 | 48% helix, 15% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A, B
- GOL · Glycerol · additive · chains B
- CIT · Citric acid · additive · chains B
- PEG · Di(hydroxyethyl)ether · additive · chains B
- PGE · Triethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1088 | 0.79 | 0.80 | 120 | empty |
| 2 | 82 | 0.36 | 0.76 | 21 | empty |
| 3 | 89 | 0.35 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 834 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 glycan, 6 disulfide (N-glycosylation, disulfide).
Compared structures
- 6IMU · The apo-structure of endo-beta-1,2-glucanase from Talaromyces funiculosus · 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 6IMU · PDBe 6IMU
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