Structure of PDB 4npb Chain A Binding Site BS01

Receptor Information

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

ADDSAIQQTLKKLDIQQADIQPSPIPGISTVMTESGVLYISADGKHLLQG
PLYDVSGDQPINVTNQALLKKLEALSSEMIVYKAPEEKHVITVFTDITCG
YCRKLHEQMKDYNALGITVRYLAFPRQGLSSQAEKDMRSIWCMADRNKAF
DDAMKNNDISPATCKTDISKHYQLGVQFGIQGTPAIVLQNGTIVPGYQGP
KEMLQMLNAHQASLK

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 4npb Chain C Residue 1

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): C162 M163 A164 R166
• Binding residue (residue number reindexed from 1): C142 M143 A144 R146
• 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