MolNFT v1 · #152592 · protein
The complex structure of endo-beta-1,2-glucanase mutant (E262Q) from talaromyces funiculosus with beta-1,2-glucan
6IMW: “The complex structure of endo-beta-1,2-glucanase mutant (E262Q) from talaromyces funiculosus with…”. X-ray diffraction, 2 ligands (BGC, NAG), 2 pockets (best druggability 0.79). MolNFT v1 #152592 on GenesisL1: 3D structure, binding…
- PDB
- 6IMW
- Type
- protein
- Length
- 988 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
- BGC, NAG
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endo-beta-1,2-glucanase (EC 3.2.1.71) | protein | 494 | 48% helix, 15% strand | — |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 12 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1085 | 0.79 | 0.81 | 116 | BGC |
| 2 | 172 | 0.46 | 0.75 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 816 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 glycan, 6 disulfide (N-glycosylation, disulfide).
Compared structures
- 6IMW · The complex structure of endo-beta-1,2-glucanase mutant (E262Q) from Talaromyces… · 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 6IMW · PDBe 6IMW
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