MolNFT v1 · #181669 · protein
Crystal structure of a 6-phospho-beta-galactosidase from bacillus licheniformis
7M1R: “Crystal structure of a 6-phospho-beta-galactosidase from bacillus licheniformis”. X-ray diffraction, 11 pockets (best druggability 0.85). MolNFT v1 #181669 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7M1R
- Type
- protein
- Length
- 1,896 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-phospho-beta-galactosidase
- EC
- 3.2.1.4
- UniProt
- A0A3G1GM07
- Pockets
- 11 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 6-phospho-beta-galactosidase (EC 3.2.1.4) | protein | 475 | 41% helix, 16% strand | A0A3G1GM07 |
| B | 6-phospho-beta-galactosidase (EC 3.2.1.4) | protein | 477 | 41% helix, 16% strand | A0A3G1GM07 |
| C, D | 6-phospho-beta-galactosidase (EC 3.2.1.4) | protein | 472 | 41% helix, 16% strand | A0A3G1GM07 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 10 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 718 | 0.85 | 0.89 | 68 | EDO |
| 2 | 839 | 0.85 | 0.88 | 80 | EDO |
| 3 | 765 | 0.85 | 0.88 | 73 | EDO |
| 4 | 753 | 0.85 | 0.88 | 73 | EDO |
| 5 | 667 | 0.80 | 0.84 | 82 | EDO |
Interfaces
5 interfaces between chains.
- A–B · 453 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 272 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 254 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 54 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 11 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7M1R · Crystal structure of a 6-phospho-beta-galactosidase from Bacillus licheniformis · 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 A0A3G1GM07
- Elsewhere: RCSB PDB 7M1R · PDBe 7M1R · UniProt A0A3G1GM07
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