MolNFT v1 · #99671 · protein
Crystal structure of beta-galactosidase C (bgac) from bacillus circulans atcc 31382
4MAD: “Crystal structure of beta-galactosidase C (bgac) from bacillus circulans atcc 31382”. X-ray diffraction, 12 pockets (best druggability 0.80). MolNFT v1 #99671 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4MAD
- Type
- protein
- Length
- 1,167 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-galactosidase
- EC
- 3.2.1.35
- UniProt
- O31341
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-galactosidase (EC 3.2.1.35) | protein | 581 | 24% helix, 33% strand | O31341 |
| B | Beta-galactosidase (EC 3.2.1.35) | protein | 586 | 23% helix, 33% strand | O31341 |
Ligands and binding sites
- PG0 · 2-(2-methoxyethoxy)ethanol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1114 | 0.80 | 0.81 | 92 | empty |
| 2 | 393 | 0.63 | 0.77 | 40 | empty |
| 3 | 340 | 0.60 | 0.77 | 34 | empty |
| 4 | 162 | 0.53 | 0.80 | 32 | PG0 |
| 5 | 126 | 0.52 | 0.81 | 23 | PG0 |
Interfaces
1 interface between chains.
- A–B · 1585 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4MAD · Crystal structure of beta-galactosidase C (BgaC) from Bacillus circulans ATCC 31382 · 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 O31341
- Elsewhere: RCSB PDB 4MAD · PDBe 4MAD · UniProt O31341
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