Structure of PDB 5zkw Chain B Binding Site BS01

Receptor Information

>5zkw Chain B (length=422) Species: 452863 (Pseudarthrobacter chlorophenolicus A6)

SNNRYDVTEWPAGNPAKDIGEVINSIIADIKARQGAADVDDGGKPGAVIY
LPPGDYHLRTQVLIDISFLRIEGSGHGFTSSSIRFNVPEEEWPDLHELWP
GGSRVIVDLPAGDSAAGAAFLVAREGSPRISSVEFSNFCIDGLHFTADGS
GRHPENTYANGKTGIHVASANDSFRVTDMGFVYLENALTIHKADALSIHH
NFIAECGSCIELRGWGQASKITDNLVGAGPRGHSIYAENHGGLLVTANNV
FPRGASSVHFKGVTRSSVTNNRLHAFYPGMVRLEENSSENLVATNHFLRD
HEPWTPFFGVDNGLDDLTGLLSISGNNNSVIGNHFSEVVDANEIRPEGAT
PVIIRLTAGTGNFVSTNHVVAMDVDAAADLAVTAVLVDPGSARNTILDSG
SDTQVVADRAVNAIRATPTVGF

Ligand information

• Ligand ID: FRU
• InChI: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
• InChIKey: RFSUNEUAIZKAJO-ARQDHWQXSA-N
• SMILES:
  ACDLabs 10.04: OC1C(O)C(OC1(O)CO)CO
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
  CACTVS 3.341: OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)(CO)O)O)O)O
  CACTVS 3.341: OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
• Formula: C6 H12 O6
• Name: beta-D-fructofuranose;
  beta-D-fructose;
  D-fructose;
  fructose
• ChEMBL: CHEMBL604608
• ZINC: ZINC000001529270
• PDB chain: 5zkw Chain H Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5zkw Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
• Resolution: 1.86 Å
• Binding residue (original residue number in PDB): S84 E210 P257 R258 F281 W309
• Binding residue (residue number reindexed from 1): S82 E205 P252 R253 F276 W304
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 4.2.2.17: inulin fructotransferase (DFA-I-forming).

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0016829 lyase activity
• GO:0033997 inulin fructotransferase (DFA-I-forming) activity

External links

• PDB: RCSB:5zkw, PDBe:5zkw, PDBj:5zkw
• PDBsum: 5zkw
• UniProt: B8HDZ1