MolNFT v1 · #93610 · protein
Mutb inactive double mutant D200A-D415N in complex with glucose
4H7V · Sucrose isomerase: “Mutb inactive double mutant D200A-D415N in complex with glucose”. X-ray diffraction, 2 ligands (GLC, CA), 8 pockets (best druggability 0.79). MolNFT v1 #93610 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4H7V
- Type
- protein
- Length
- 1,110 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sucrose isomerase
- EC
- 5.4.11.99
- UniProt
- Q2PS28
- Ligands
- GLC, CA
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sucrose isomerase (EC 5.4.11.99) | protein | 555 | 34% helix, 19% strand | Q2PS28 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.79 | 0.98 | 22 | GLC |
| 2 | 124 | 0.79 | 0.97 | 23 | GLC |
| 3 | 289 | 0.60 | 0.78 | 35 | empty |
| 4 | 282 | 0.59 | 0.78 | 32 | empty |
| 5 | 135 | 0.44 | 0.76 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 228 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4H7V · MUTB inactive double mutant D200A-D415N in complex with GLUCOSE · 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 Q2PS28
- Elsewhere: RCSB PDB 4H7V · PDBe 4H7V · UniProt Q2PS28
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