Structure of PDB 4i9e Chain A Binding Site BS02

Receptor Information

>4i9e Chain A (length=383) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168)

GAMTGVISSSSIGEKINEWYMYIRRFSIPDAEYLRREIKQELDQMEEDQD
LHLYYSLMEFRHNLMLEYLEPLEKMRIEEQPRLSDLLLEIDKKQARLTGL
LEYYFNFFRGMYELDQREYLSAIKFFKKAESKLIFVKDRIEKAEFFFKMS
ESYYYMKQTYFSMDYARQAYEIYKEHEAYNIRLLQCHSLFATNFLDLKQY
EDAISHFQKAYSMAEAEKQPQLMGRTLYNIGLCKNSQSQYEDAIPYFKRA
IAVFEESNILPSLPQAYFLITQIHYKLGKIDKAHEYHSKGMAYSQKAGDV
IYLSEFEFLKSLYLSGPDEEAIQGFFDFLESKMLYADLEDFAIDVAKYYH
ERKNFQKASAYFLKVEQVRQLIQGGVSLYEIEV

Ligand information

• Ligand ID: FRU
• InChI: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
• InChIKey: RFSUNEUAIZKAJO-ARQDHWQXSA-N
• SMILES:
  ACDLabs 10.04: OC1C(O)C(OC1(O)CO)CO
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
  CACTVS 3.341: OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)(CO)O)O)O)O
  CACTVS 3.341: OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
• Formula: C6 H12 O6
• Name: beta-D-fructofuranose;
  beta-D-fructose;
  D-fructose;
  fructose
• ChEMBL: CHEMBL604608
• ZINC: ZINC000001529270
• PDB chain: 4i9e Chain C Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4i9e Structural basis of Rap phosphatase inhibition by Phr peptides
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): M1 T2
• Binding residue (residue number reindexed from 1): M3 T4
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.1.-.-

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0030420 establishment of competence for transformation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4i9e, PDBe:4i9e, PDBj:4i9e
• PDBsum: 4i9e
• PubMed: 23526880
• UniProt: P71002|RAPF_BACSU Regulatory protein RapF (Gene Name=rapF)