MolNFT v1 · #146822 · protein
Maltose bound T. maritima MALE3
6DTQ · Maltose-binding protein MALE3: “Maltose bound T. maritima MALE3”. X-ray diffraction, 2 ligands (GLC, MG), 12 pockets (best druggability 0.80). MolNFT v1 #146822 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6DTQ
- Type
- protein
- Length
- 1,564 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding protein MALE3
- UniProt
- G4FGN8
- Ligands
- GLC, MG
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Maltose-binding protein MALE3 | protein | 391 | 50% helix, 18% strand | G4FGN8 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 8 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
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 | 1107 | 0.80 | 0.82 | 93 | empty |
| 2 | 137 | 0.79 | 0.97 | 25 | GLC |
| 3 | 133 | 0.79 | 0.96 | 28 | GLC |
| 4 | 129 | 0.78 | 0.96 | 26 | GLC |
| 5 | 169 | 0.76 | 0.93 | 32 | GLC |
Interfaces
5 interfaces between chains.
- A–D · 570 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 238 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 236 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 145 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 13 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6DTQ · Maltose bound T. maritima MalE3 · 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 G4FGN8
- Elsewhere: RCSB PDB 6DTQ · PDBe 6DTQ · UniProt G4FGN8
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