Structure of PDB 3ito Chain C Binding Site BS03

Receptor Information

>3ito Chain C (length=428) Species: 316 (Stutzerimonas stutzeri)

EFRIAQDVVARENDRRASALKEDYEALGANLARRGVDIEAVTAKVEKFFV
AVPSWGVGTGGTRFARFPGTGEPRGIFDKLDDCAVIQQLTRATPNVSLHI
PWDKADPKELKARGDALGLGFDAMNSNTFSDAPGQAHSYKYGSLSHTNAA
TRAQAVEHNLECIEIGKAIGSKALTVWIGDGSNFPGQSNFTRAFERYLSA
MAEIYKGLPDDWKLFSEHKMYEPAFYSTVVQDWGTNYLIAQTLGPKAQCL
VDLGHHAPNTNIEMIVARLIQFGKLGGFHFNDSKYGDDDLDAGAIEPYRL
FLVFNELVDAEARGVKGFHPAHMINQSHNVTDPIESLINSANEIRRAYAQ
ALLVDRAALSGYQEDNDALMATETLKRAYRTDVEPILAEARRRTGGAVDP
VATYRASGYRARVAAERPASVAGGGGII

Ligand information

• Ligand ID: PSV
• 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-KAZBKCHUSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O
  ACDLabs 11.02: OC1C(O)C(OC1(O)CO)CO
  CACTVS 3.352: OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.0: C(C1C(C(C(O1)(CO)O)O)O)O
  CACTVS 3.352: OC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O
• Formula: C6 H12 O6
• Name: alpha-D-psicofuranose;
  alpha-D-psicose;
  D-psicose;
  psicose
• PDB chain: 3ito Chain C Residue 603

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ito Catalytic reaction mechanism of Pseudomonas stutzeri l-rhamnose isomerase deduced from X-ray structures
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): W179 E219 H257 N327
• Binding residue (residue number reindexed from 1): W177 E217 H255 N325
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 5.3.1.14: L-rhamnose isomerase.

Gene Ontology

Molecular Function

• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:3ito, PDBe:3ito, PDBj:3ito
• PDBsum: 3ito
• PubMed: 20088877
• UniProt: Q75WH8