Structure of PDB 4gey Chain A Binding Site BS01

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: BGC
• 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-VFUOTHLCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-glucopyranose;
  beta-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL1614854
• DrugBank: DB02379
• ZINC: ZINC000003833800
• PDB chain: 4gey Chain A Residue 501

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): R83 E106 W108 N170 W171
• Binding residue (residue number reindexed from 1): R82 E105 W107 N169 W170
• Annotation score: 4

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