Structure of PDB 5nxu Chain B Binding Site BS01

Receptor Information

>5nxu Chain B (length=352) Species: 588 (Providencia stuartii)

AEVYNKDGNKLDVYGKVDVRHYFASADKGKKSEDGDDSRVRLGVKGDTQI
TDQLTGFGRFEWETKTNKAENEGENKNRLAYAGLKFADFGSIDYGRNYGV
VYDTNAWTDVFPLWGADTMAQTDNFMTSRNRNLLTYRNNNAFGYVDGLSF
ALQYQGKNGDNNKSSAGMAKDNGDGYGFSTAYELGWGVTLGGGYSSSSRT
PNQKAGVVTSEGDSYYSATGKRAQAWNVGGKFDANNVYLAAMYGQTQNTS
RYGDLDLIANKTENVELVAQYLFDFGLKPSIGYNQSKGKNLGNGYDNQDL
VKYISVGSYYYFNKNMSAVVDYKINLLKDNDFTKEYGINTDNVLGLGLVY
QF

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: 5nxu Chain E Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5nxu Porin self-association enables cell-to-cell contact in
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): K31 G253 D254 G337 N339
• Binding residue (residue number reindexed from 1): K31 G253 D254 G337 N339
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0015288 porin activity

Biological Process

• GO:0006811 monoatomic ion transport
• GO:0034220 monoatomic ion transmembrane transport

Cellular Component

• GO:0009279 cell outer membrane
• GO:0016020 membrane
• GO:0046930 pore complex

External links

• PDB: RCSB:5nxu, PDBe:5nxu, PDBj:5nxu
• PDBsum: 5nxu
• PubMed: 29476011
• UniProt: E3U904