MolNFT v1 · #71572 · protein
Crystal structure of the alpha-galactosidase from lactobacillus brevis, northeast structural genomics consortium target LBR11.
3MI6: “Crystal structure of the alpha-galactosidase from lactobacillus brevis, northeast structural genomics…”. X-ray diffraction, 20 pockets (best druggability 0.87). MolNFT v1 #71572 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3MI6
- Type
- protein
- Length
- 2,958 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-galactosidase
- EC
- 3.2.1.22
- UniProt
- Q03PP7
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 21% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-galactosidase (EC 3.2.1.22) | protein | 742 | 22% helix, 30% strand | Q03PP7 |
| B | Alpha-galactosidase (EC 3.2.1.22) | protein | 736 | 21% helix, 31% strand | Q03PP7 |
| C | Alpha-galactosidase (EC 3.2.1.22) | protein | 737 | 21% helix, 31% strand | Q03PP7 |
| D | Alpha-galactosidase (EC 3.2.1.22) | protein | 743 | 21% helix, 30% strand | Q03PP7 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 965 | 0.87 | 0.89 | 128 | empty |
| 2 | 704 | 0.86 | 0.90 | 85 | empty |
| 3 | 334 | 0.78 | 0.88 | 67 | empty |
| 4 | 96 | 0.73 | 0.95 | 28 | empty |
| 5 | 96 | 0.73 | 0.95 | 29 | empty |
Interfaces
6 interfaces between chains.
- B–C · 3207 Ų buried · 41 hydrogen bonds · protein-protein
- A–D · 3197 Ų buried · 45 hydrogen bonds · protein-protein
- C–D · 2175 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 2132 Ų buried · 36 hydrogen bonds · protein-protein
- B–D · 1102 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 96 modified (engineered).
Compared structures
- 3MI6 · Crystal structure of the alpha-galactosidase from Lactobacillus brevis, Northeast… · 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 Q03PP7
- Elsewhere: RCSB PDB 3MI6 · PDBe 3MI6 · UniProt Q03PP7
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