MolNFT v1 · #29869 · protein
Crystal structures of complex F. succinogenes 1,3-1,4-beta-D-glucanase and beta-1,3-1,4-cellotriose
1ZM1 · Beta-glucanase: “Crystal structures of complex F. succinogenes 1,3-1,4-beta-D-glucanase and beta-1,3-1,4-cellotriose”. X-ray diffraction, 2 ligands (BGC, CA), 5 pockets (best druggability 0.69). MolNFT v1 #29869 on GenesisL1: 3D…
- PDB
- 1ZM1
- Type
- protein
- Length
- 474 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-glucanase
- EC
- 3.2.1.73
- UniProt
- P17989
- Ligands
- BGC, CA
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-glucanase (EC 3.2.1.73) | protein | 241 | 7% helix, 49% strand | P17989 |
| B | Beta-glucanase (EC 3.2.1.73) | protein | 233 | 6% helix, 50% strand | P17989 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 6 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 503 | 0.69 | 0.79 | 49 | BGC |
| 2 | 236 | 0.55 | 0.78 | 28 | BGC |
| 3 | 138 | 0.45 | 0.77 | 28 | empty |
| 4 | 193 | 0.45 | 0.74 | 39 | empty |
| 5 | 65 | 0.41 | 0.80 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 498 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 1ZM1 · Crystal structures of complex F. succinogenes 1,3-1,4-beta-D-glucanase and… · the same entry in another collection · chain A against A, TM-score 1.00
- P17989 · AlphaFold monomer V2.0 prediction for beta-glucanase (P17989) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P17989
- Elsewhere: RCSB PDB 1ZM1 · PDBe 1ZM1 · UniProt P17989
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