Structure of PDB 4gjj Chain D Binding Site BS03

Receptor Information

>4gjj Chain D (length=419) Species: 316 (Stutzerimonas stutzeri)

EFRIAQDVVARENDRRASALKEDYEALGANLARRGVDIEAVTAKVEKFFV
AVPSWGVGTGGTRFARFPGTGEPRGIFDKLDDCAVIQQLTRATPNVSLNI
PWDKADPKELKARGDALGLGFDAMNSNTFSDAPGQAHSYKYGSLSHTNAA
TRAQAVEHNLECIEIGKAIGSKALTVWIGDGSNFPGQSNFTRAFERYLSA
MAEIYKGLPDDWKLFSEHKMYEPAFYSTVVQDWGTNYLIAQTLGPKAQCL
VDLGHHAPNTNIEMIVARLIQFGKLGGFHFNDSKYGDDDLDAGAIEPYRL
FLVFNELVDAEARGVKGFHPAHMIDQSHNVTDPIESLINSANEIRRAYAQ
ALLVDRAALSGYQEDNDALMATETLKRAYRTDVEPILAEARRRTGGAVDP
VATYRASGYRARVAAERPA

Ligand information

• Ligand ID: AOS
• InChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1
• InChIKey: GZCGUPFRVQAUEE-BGPJRJDNSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O
  CACTVS 3.341: OC[CH](O)[CH](O)[CH](O)[CH](O)C=O
  CACTVS 3.341: OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O
  ACDLabs 10.04: O=CC(O)C(O)C(O)C(O)CO
  OpenEye OEToolkits 1.5.0: C(C(C(C(C(C=O)O)O)O)O)O
• Formula: C6 H12 O6
• Name: D-ALLOSE
• ZINC: ZINC000002508226
• PDB chain: 4gjj Chain D Residue 504

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gjj Structure of l-rhamnose isomerase in complex with l-rhamnopyranose demonstrates the sugar-ring opening mechanism and the role of a substrate sub-binding site.
• Resolution: 2.38 Å
• Binding residue (original residue number in PDB): W57 W179 E219 K221 H257 H281 D327
• Binding residue (residue number reindexed from 1): W55 W177 E217 K219 H255 H279 D325
• 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:4gjj, PDBe:4gjj, PDBj:4gjj
• PDBsum: 4gjj
• PubMed: 23772372
• UniProt: Q75WH8