Structure of PDB 3fj7 Chain A Binding Site BS01

Receptor Information

>3fj7 Chain A (length=231) Species: 197 (Campylobacter jejuni)

DVNLYGPGGPHTALKDIANKYSEKTGVKVNVNFGPQATWFEKAKKDADIL
FGASDQSALAIASDFGKDFNVSKIKPLYFREAIILTQKGNPLKIKGLKDL
ANKKVRIVVPEGAGKSNTSGTGVWEDMIGRTQDIKTIQNFRNNIVAFVPN
SGSARKLFAQDQADAWITWIDWSKSNPDIGTAVAIEKDLVVYRTFNVIAK
EGASKETQDFIAYLSSKEAKEIFKKYGWREH

Ligand information

• Ligand ID: PEQ
• InChI: InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1
• InChIKey: CSZRNWHGZPKNKY-REOHCLBHSA-N
• SMILES:
  CACTVS 3.341: C[C@H](O[P](O)(O)=O)C(O)=O
  CACTVS 3.341: C[CH](O[P](O)(O)=O)C(O)=O
  ACDLabs 10.04: O=C(O)C(OP(=O)(O)O)C
  OpenEye OEToolkits 1.5.0: CC(C(=O)O)OP(=O)(O)O
  OpenEye OEToolkits 1.5.0: C[C@@H](C(=O)O)OP(=O)(O)O
• Formula: C3 H7 O6 P
• Name: L-PHOSPHOLACTATE
• ChEMBL: CHEMBL1235229
• ZINC: ZINC000006486927
• PDB chain: 3fj7 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3fj7 Specificity of Campylobacter jejuni adhesin PEB3 for phosphates and structural differences among its ligand complexes.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): P27 G28 G54 P55 T138 S139 N170 S171 G172
• Binding residue (residue number reindexed from 1): P7 G8 G34 P35 T118 S119 N150 S151 G152
• Annotation score: 1
• Binding affinity: PDBbind-CN: -logKd/Ki=3.71,Kd=195uM

Gene Ontology

Molecular Function

• GO:0140104 molecular carrier activity

Biological Process

• GO:1902358 sulfate transmembrane transport

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:3fj7, PDBe:3fj7, PDBj:3fj7
• PDBsum: 3fj7
• PubMed: 19236052
• UniProt: Q0PBL7