MolNFT v1 · #92767 · protein
Crystal structure of the mutb R284C mutant from crystals soaked with the inhibitor deoxynojirimycin
4GIN · Sucrose isomerase: “Crystal structure of the mutb R284C mutant from crystals soaked with the inhibitor deoxynojirimycin”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.72). MolNFT v1 #92767 on GenesisL1: 3D…
- PDB
- 4GIN
- Type
- protein
- Length
- 555 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sucrose isomerase
- EC
- 5.4.11.99
- UniProt
- Q2PS28
- Ligands
- CA
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sucrose isomerase (EC 5.4.11.99) | protein | 555 | 35% helix, 18% strand | Q2PS28 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 707 | 0.72 | 0.79 | 62 | GOL |
| 2 | 57 | 0.72 | 0.98 | 19 | empty |
| 3 | 176 | 0.49 | 0.76 | 26 | empty |
| 4 | 51 | 0.28 | 0.75 | 20 | empty |
Compared structures
- 4GIN · Crystal structure of the MUTB R284C mutant from crystals soaked with the inhibitor… · 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 4GIN · PDBe 4GIN · UniProt Q2PS28
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