Structure of PDB 4o8m Chain A Binding Site BS01

Receptor Information

>4o8m Chain A (length=303) Species: 339671 (Actinobacillus succinogenes 130Z)

ETEIMVAYGNQPGEPIDKAMHFWADKVKEKSNGDIVFKLFPSSQLGSETE
VLEQAKFGANIITISDYGALMDIVPDLGVINAPYISQSFEKKSKLLHSDW
FKDLSDKLDQHDIHIIVPDVIYGTRHLLTKKPVTKPSDLKGMKVRVQHSR
LFLQTINAMGGVPTPMSLSDVYPGLSEGIIDGLENPTVVLFGGKFFEVAK
NLNLTAHTKHMSPFVAGTAFWNNLTPEQQKIIVDASREMVTYGGGLIEQA
ENEALENLKKAGVTVNDVDLPAFEASVADVISTGFPEWSPNLYKNVQEKL
SQF

Ligand information

• Ligand ID: 2Q2
• 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-/m0/s1
• InChIKey: RGHNJXZEOKUKBD-RSJOWCBRSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C([C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O)O
  OpenEye OEToolkits 1.7.6: 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
  ACDLabs 12.01: O=C(O)C(O)C(O)C(O)C(O)CO
• Formula: C6 H12 O7
• Name: L-galactonic acid
• ZINC: ZINC000001532586
• PDB chain: 4o8m Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4o8m Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): E73 I89 S90 Y147 R150 R170 Q172 L193 N210 H235 S237
• Binding residue (residue number reindexed from 1): E48 I64 S65 Y122 R125 R145 Q147 L168 N185 H210 S212
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0055085 transmembrane transport

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:4o8m, PDBe:4o8m, PDBj:4o8m
• PDBsum: 4o8m
• PubMed: 25540822
• UniProt: A6VKP1