MolNFT v1 · #87043 · protein
Crystal structure of LAMA_E269S from Z. galactanivorans in complex with laminaritriose and laminaritetraose
4BOW · Endo-1,3-beta-glucanase, family GH16: “Crystal structure of LAMA_E269S from Z. galactanivorans in complex with laminaritriose and laminaritetraose”. X-ray diffraction, 4 ligands (BGC, GLC, CA), 5 pockets (best druggability 0.64).…
- PDB
- 4BOW
- Type
- protein
- Length
- 496 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-1,3-beta-glucanase, family GH16
- EC
- 3.2.1.39
- UniProt
- G0L5X4
- Ligands
- BGC, GLC, CA, NA
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endo-1,3-beta-glucanase, family GH16 (EC 3.2.1.39) | protein | 248 | 2% helix, 52% strand | G0L5X4 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 7 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · 2 copies · chains A, B
- NA · Sodium ion · metal · chains 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 178 | 0.64 | 0.85 | 42 | NA |
| 2 | 200 | 0.59 | 0.81 | 30 | GLC, BGC |
| 3 | 184 | 0.57 | 0.80 | 27 | BGC |
| 4 | 208 | 0.55 | 0.78 | 25 | empty |
| 5 | 51 | 0.33 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 673 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4BOW · Crystal structure of LamA_E269S from Z. galactanivorans in complex with laminaritriose… · 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 G0L5X4
- Elsewhere: RCSB PDB 4BOW · PDBe 4BOW · UniProt G0L5X4
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