Structure of PDB 3itl Chain D Binding Site BS03

Receptor Information

>3itl Chain D (length=419) Species: 316 (Stutzerimonas stutzeri)

EFRIAQDVVARENDRRASALKEDYEALGANLARRGVDIEAVTAKVEKFFV
AVPSWGVGTGGTRFARFPGTGEPRGIFDKLDDCAVIQQLTRATPNVSLHI
PWDKADPKELKARGDALGLGFDAMNSNTFSDAPGQAHSYKYGSLSHTNAA
TRAQAVEHNLECIEIGKAIGSKALTVWIGDGSNFPGQSNFTRAFERYLSA
MAEIYKGLPDDWKLFSEHKMYEPAFYSTVVQDWGTNYLIAQTLGPKAQCL
VDLGHHAPNTNIEMIVARLIQFGKLGGFHFNDSKYGDDDLDAGAIEPYRL
FLVFNELVDAEARGVKGFHPAHMINQSHNVTDPIESLINSANEIRRAYAQ
ALLVDRAALSGYQEDNDALMATETLKRAYRTDVEPILAEARRRTGGAVDP
VATYRASGYRARVAAERPA

Ligand information

• Ligand ID: LRH
• InChI: InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5+,6-/m0/s1
• InChIKey: CJJCPDZKQKUXSS-AZGQCCRYSA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O
  CACTVS 3.341: C[CH]1O[C](O)(CO)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: CC1C(C(C(O1)(CO)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC1(O)CO)C
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O
• Formula: C6 H12 O5
• Name: 6-deoxy-beta-L-fructofuranose;
  6-deoxy-beta-L-fructose;
  6-deoxy-L-fructose;
  6-deoxy-fructose
• PDB chain: 3itl Chain D Residue 604

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3itl Catalytic reaction mechanism of Pseudomonas stutzeri l-rhamnose isomerase deduced from X-ray structures
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): W57 W179 E219 K221 H257 H281 N327
• Binding residue (residue number reindexed from 1): W55 W177 E217 K219 H255 H279 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:3itl, PDBe:3itl, PDBj:3itl
• PDBsum: 3itl
• PubMed: 20088877
• UniProt: Q75WH8