MolNFT v1 · #112542 · protein
Crystal structure of mutant (D270A) beta-glucosidase from listeria innocua in complex with sophorotriose
4ZOC · LIN1840 protein: “Crystal structure of mutant (D270A) beta-glucosidase from listeria innocua in complex with sophorotriose”. X-ray diffraction, 2 ligands (BGC, MG), 16 pockets (best druggability 0.87). MolNFT v1 #112542 on…
- PDB
- 4ZOC
- Type
- protein
- Length
- 1,448 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- LIN1840 protein
- UniProt
- Q92AS9
- Ligands
- BGC, MG
- Pockets
- 16 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | LIN1840 protein | protein | 724 | 35% helix, 20% strand | Q92AS9 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 451 | 0.87 | 0.94 | 68 | GOL |
| 2 | 317 | 0.68 | 0.82 | 37 | empty |
| 3 | 325 | 0.67 | 0.82 | 36 | empty |
| 4 | 435 | 0.62 | 0.76 | 68 | empty |
| 5 | 252 | 0.60 | 0.79 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 2999 Ų buried · 78 hydrogen bonds · protein-protein
Compared structures
- 4ZOC · Crystal Structure of mutant (D270A) beta-glucosidase from Listeria innocua in complex… · the same entry in another collection · chain B against B, 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 Q92AS9
- Elsewhere: RCSB PDB 4ZOC · PDBe 4ZOC · UniProt Q92AS9
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