GL1X · GenesisL1 explorer

MolNFT v1 · #93431 · protein

Trehalulose synthase mutb R284C mutant

4H2C · Sucrose isomerase: “Trehalulose synthase mutb R284C mutant”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.74). MolNFT v1 #93431 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4H2C
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
3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASucrose isomerase (EC 5.4.11.99)protein55535% helix, 18% strandQ2PS28

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • GOL · Glycerol · additive · 5 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18080.740.7964GOL
2570.710.9818empty
31540.470.7626GOL

Compared structures

  • 4H2C · Trehalulose synthase MutB R284C mutant · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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