Structure of PDB 2i58 Chain A Binding Site BS03

Receptor Information

>2i58 Chain A (length=385) Species: 170187 (Streptococcus pneumoniae TIGR4)

STVTIEYFNQKKEMTKTLEEITRDFEKENPKIKVKVVNVPNAGEVLKTRV
LAGDVPDVVNIYPQSIELQEWAKAGVFEDLSNKDYLKRVKNGYAEKYAVN
EKVYNVPFTANAYGIYYNKDKFEELGLKVPETWDEFEQLVKDIVAKGQTP
FGIAGADAWTLNGYNQLAFATATGGGKEANQYLRYSQPNAIKLSDPIMKD
DIKVMDILRINGSKQKNWEGAGYTDVIGAFARGDVLMTPNGSWAITAINE
QKPNFKIGTFMIPGKEKGQSLTVGAGDLAWSISATTKHPKEANAFVEYMT
RPEVMQKYYDVDGSPTAIEGVKQAGEDSPLAGMTEYAFTDRHLVWLQQYW
TSEADFHTLTMNYVLTGDKQGMVNDLNAFFNPMKM

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: 2i58 Chain C Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2i58 Crystal structure of apo and bound forms of RafE from Streptococcus pneumoniae
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): Q13 W162
• Binding residue (residue number reindexed from 1): Q10 W159
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0055085 transmembrane transport

External links

• PDB: RCSB:2i58, PDBe:2i58, PDBj:2i58
• PDBsum: 2i58
• UniProt: A0A0H2URJ7