Research workbench
Crystal structure of E.COLI branching enzyme in complex with maltohexaose
Analyse Crystal structure of E.COLI branching enzyme in complex with maltohexaose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LQ1
- Type
- protein
- Length
- 2,364 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1,4-alpha-glucan branching enzyme glgb
- EC
- 2.4.1.18
- UniProt
- P07762
- Ligands
- GLC, BGC
- Pockets
- 19 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 28% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1,4-alpha-glucan branching enzyme glgb (EC 2.4.1.18) | protein | 586 | 26% helix, 25% strand | P07762 |
| B | 1,4-alpha-glucan branching enzyme glgb (EC 2.4.1.18) | protein | 596 | 28% helix, 25% strand | P07762 |
| C | 1,4-alpha-glucan branching enzyme glgb (EC 2.4.1.18) | protein | 589 | 29% helix, 25% strand | P07762 |
| D | 1,4-alpha-glucan branching enzyme glgb (EC 2.4.1.18) | protein | 593 | 29% helix, 26% strand | P07762 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 10 copies · chains B, A, C, D
- BGC · beta-D-glucopyranose · sugar · chains A
- GOL · Glycerol · additive · 4 copies · chains B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1016 | 0.86 | 0.87 | 80 | empty |
| 2 | 319 | 0.78 | 0.89 | 35 | empty |
| 3 | 283 | 0.76 | 0.89 | 41 | empty |
| 4 | 225 | 0.74 | 0.90 | 42 | GOL |
| 5 | 525 | 0.73 | 0.81 | 47 | empty |
Interfaces
4 interfaces between chains.
- A–B · 984 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 878 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 507 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 116 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4LQ1 · Crystal Structure of E.Coli Branching Enzyme in complex with maltohexaose · the same entry in another collection · chain D against D, TM-score 1.00
- P07762 · AlphaFold monomer V2.0 prediction for 1,4-alpha-glucan branching enzyme glgb (P07762) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 P07762
- Elsewhere: RCSB PDB 4LQ1 · PDBe 4LQ1 · UniProt P07762
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