Structure of PDB 6e9o Chain B Binding Site BS01

Receptor Information

>6e9o Chain B (length=402) Species: 562 (Escherichia coli)

KPGRRRYLTLVMIFITVVICYVDRANLAVASAHIQEEFGITKAEMGYVFS
AFAWLYTLCQIPGGWFLDRVGSRVTYFIAIFGWSVATLFQGFATGLMSLI
GLRAITGIFQAPAFPTNNRMVTSWFPEHERASAVGFYTSGQFVGLAFLTP
LLIWIQEMLSWHWVFIVTGGIGIIWSLIWFKVYQPPRLTKGISKAELDYI
RDGGGLVPLTAKDWKLVFHRKLIGVYLGQFAVASTLWFFLTWFPNYLTQE
KGITFMTTVPFLAAFVGVLLSGWVADLLVRKGFSLGFARKTPIICGLLIS
TCIMGANYTNDPMMIMCLMALAFFGNGFASITWSLVSSLAPMRLIGLTGG
VFNFAGGLGGITVPLVVGYLAQGYGFAPALVYISAVALIGALSYILLVGD
VK

Ligand information

• Ligand ID: J0M
• InChI: InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1
• InChIKey: RGHNJXZEOKUKBD-MGCNEYSASA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: C(C(C(C(C(C(=O)O)O)O)O)O)O
  CACTVS 3.385: OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O
  CACTVS 3.385: OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
  OpenEye OEToolkits 2.0.6: C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
  ACDLabs 12.01: C(C(C(C(CO)O)O)O)(O)C(O)=O
• Formula: C6 H12 O7
• Name: D-galactonic acid;
  D-galactonate
• ZINC: ZINC000005131976
• PDB chain: 6e9o Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6e9o Structures suggest a mechanism for energy coupling by a family of organic anion transporters.
• Resolution: 3.501 Å
• Binding residue (original residue number in PDB): Y79 F137 Q164 W373
• Binding residue (residue number reindexed from 1): Y56 F114 Q141 W333
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0022857 transmembrane transporter activity

Biological Process

• GO:0055085 transmembrane transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane

External links

• PDB: RCSB:6e9o, PDBe:6e9o, PDBj:6e9o
• PDBsum: 6e9o
• PubMed: 31083648
• UniProt: J7QAK3