Structure of PDB 4gey Chain A Binding Site BS02

Receptor Information

>4gey Chain A (length=420) Species: 931281 (Pseudomonas putida BIRD-1)

EAFSSESKWMTGDWGGTRTELLDKGYDFTLDYVGEVAGNLHGGYNDDKTA
RYSDQFALGAHLDLQKILGWHDAEFKLAITERSGRNLSNDRISDPRAGQF
SSVQEVWGRGQTWRLTQMWIKQKYFDGALDVKFGRFGEGEDFNSFPCDFQ
NLAFCGSQVGNWVGGIWYNWPVSQWALRVKYNITPAFFVQVGAFEQNPSN
LETGNGFKLSGSGTKGAIMPMEAVWSPKVNGLPGEYRLGYYYSTAKADDV
YDDVNGNPQALTGEAFKSHSSKHGWWVVAQQQVTAHGGDVNRGLSLFANF
TVHDKATNVVDNYQQVGLVYKGAFDARPKDDIGFGVARIHVNDDVKKRAE
LLNAQSGINDYDNPGFVPLQRTEYNAELYYGFHVTNWLTVRPNLQYIKSP
GGVDEVDNALVAGLKIQSSF

Ligand information

• Ligand ID: C8E
• InChI: InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
• InChIKey: FEOZZFHAVXYAMB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O(CCCCCCCC)CCOCCOCCOCCO
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: CCCCCCCCOCCOCCOCCOCCO
• Formula: C16 H34 O5
• Name: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
• DrugBank: DB04233
• ZINC: ZINC000014881140
• PDB chain: 4gey Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gey Structural basis for outer membrane sugar uptake in pseudomonads.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): F325 L379 P393 N394 L395 G414
• Binding residue (residue number reindexed from 1): F324 L378 P392 N393 L394 G413
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015288 porin activity

Biological Process

• GO:0008643 carbohydrate transport
• GO:0055085 transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4gey, PDBe:4gey, PDBj:4gey
• PDBsum: 4gey
• PubMed: 23066028
• UniProt: A5VZA8