MolNFT v1 · #97081 · protein
The structure of a glycoside hydrolase family 81 endo-[beta]-1,3- glucanase
4K35 · Glycoside hydrolase family 81 endo-beta-1,3-glucanase: “The structure of a glycoside hydrolase family 81 endo-[beta]-1,3- glucanase”. X-ray diffraction, 9 pockets (best druggability 0.67). MolNFT v1 #97081 on GenesisL1: 3D…
- PDB
- 4K35
- Type
- protein
- Length
- 1,432 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycoside hydrolase family 81 endo-beta-1,3-glucanase
- EC
- 3.2.1.39
- Pockets
- 9 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycoside hydrolase family 81 endo-beta-1,3-glucanase (EC 3.2.1.39) | protein | 719 | 33% helix, 24% strand | — |
| B | Glycoside hydrolase family 81 endo-beta-1,3-glucanase (EC 3.2.1.39) | protein | 713 | 33% helix, 25% strand | — |
Ligands and binding sites
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 4 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 270 | 0.67 | 0.83 | 34 | empty |
| 2 | 301 | 0.65 | 0.81 | 33 | empty |
| 3 | 274 | 0.59 | 0.78 | 38 | TRS |
| 4 | 263 | 0.59 | 0.78 | 31 | TRS |
| 5 | 269 | 0.53 | 0.75 | 40 | MPD |
Interfaces
1 interface between chains.
- A–B · 839 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 26 modified (engineered).
Compared structures
- 4K35 · The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase · 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 4K35 · PDBe 4K35
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