Structure of PDB 4ry0 Chain A Binding Site BS01

Receptor Information

>4ry0 Chain A (length=287) Species: 347834 (Rhizobium etli CFN 42)

MADLIAIITPAHDNPFFKAEAVGAEAKAKELGYETLVMTHDDDANKQSEM
IDTAIGRGAKAIILDNAGADASVAAVKKAKDAGIPSFLIDREINATGVAV
AQIVSNNYQGAQLGAQEFVKLMGEKGNYVELVGKESDTNAGIRSQGYHDV
IDDYPEMKSVAKQSANWSQTEAYSKMETILQANPDIKGVISGNDTMAMGA
IAALQAAGRKDVIVVGFDGSNDVRDSIKSGGIKATVLQPAYAQAQLAVEQ
ADAYIKNKTTPKEEKQLMDCVLINADNAGKLETFALT

Ligand information

• Ligand ID: RIP
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1
• InChIKey: SRBFZHDQGSBBOR-TXICZTDVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: beta-D-ribopyranose;
  beta-D-ribose;
  D-ribose;
  ribose;
  RIBOSE(PYRANOSE FORM)
• ChEMBL: CHEMBL1159662
• DrugBank: DB04286
• ZINC: ZINC000004097544
• PDB chain: 4ry0 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ry0 Crystal Structure of Ribose Transporter Solute Binding Protein from Rhizobium Etly, Target Efi-511357
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): N39 F42 D115 R116 D162 R168 W192 N218 D243 Q263
• Binding residue (residue number reindexed from 1): N14 F17 D90 R91 D137 R143 W167 N193 D218 Q238
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:4ry0, PDBe:4ry0, PDBj:4ry0
• PDBsum: 4ry0
• UniProt: Q2JZQ5|APIBP_RHIEC D-apiose import binding protein (Gene Name=RHE_PF00037)