Structure of PDB 4npb Chain A Binding Site BS02

Receptor Information

>4npb Chain A (length=215) Species: 214092 (Yersinia pestis CO92)

ADDSAIQQTLKKLDIQQADIQPSPIPGISTVMTESGVLYISADGKHLLQG
PLYDVSGDQPINVTNQALLKKLEALSSEMIVYKAPEEKHVITVFTDITCG
YCRKLHEQMKDYNALGITVRYLAFPRQGLSSQAEKDMRSIWCMADRNKAF
DDAMKNNDISPATCKTDISKHYQLGVQFGIQGTPAIVLQNGTIVPGYQGP
KEMLQMLNAHQASLK

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: 4npb Chain C Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4npb The crystal structure of thiol:disulfide interchange protein DsbC from Yersinia pestis CO92
• Resolution: 2.147 Å
• Binding residue (original residue number in PDB): E98 C184 K185 T186
• Binding residue (residue number reindexed from 1): E78 C164 K165 T166
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D116 C119 C122 R146
• Catalytic site (residue number reindexed from 1): D96 C99 C102 R126

Gene Ontology

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:4npb, PDBe:4npb, PDBj:4npb
• PDBsum: 4npb
• UniProt: A0A2S9PFA1