MolNFT v1 · #92957 · protein
Crystal structure of the trehalulose synthase mutant, mutb D415N, in complex with tris
4GO9 · Sucrose isomerase: “Crystal structure of the trehalulose synthase mutant, mutb D415N, in complex with tris”. X-ray diffraction, 1 ligand (CA), 8 pockets (best druggability 0.76). MolNFT v1 #92957 on GenesisL1: 3D structure, binding…
- PDB
- 4GO9
- Type
- protein
- Length
- 1,109 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
- CA
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sucrose isomerase (EC 5.4.11.99) | protein | 555 | 34% helix, 19% strand | Q2PS28 |
| B | Sucrose isomerase (EC 5.4.11.99) | protein | 554 | 33% helix, 19% strand | Q2PS28 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, 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 | 86 | 0.76 | 0.98 | 21 | TRS |
| 2 | 84 | 0.73 | 0.96 | 21 | TRS |
| 3 | 337 | 0.61 | 0.78 | 37 | empty |
| 4 | 271 | 0.58 | 0.78 | 36 | empty |
| 5 | 152 | 0.45 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 228 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4GO9 · CRYSTAL STRUCTURE of the TREHALULOSE SYNTHASE MUTANT, MUTB D415N, in COMPLEX with TRIS · 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 4GO9 · PDBe 4GO9 · UniProt Q2PS28
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