Structure of PDB 4rxt Chain A Binding Site BS01

Receptor Information

>4rxt Chain A (length=295) Species: 311403 (Rhizobium rhizogenes K84)

SMAEVTIPIIVKDTTSFYWQIVLAGARKAGKDLGVKVPELGAQAETDVNG
QISILENAVAGKPAAIVISPTEFKALGKPVDEAAKSVPIIGIDSGADSKA
FKSFLTTDNTQGGRIAADGLAAAIKAMTGKEEGDVVIITNTPGAGSLEQR
RTGFLDQVKTKYPGLKVVADKYADGQATTGLNIMTDLITANPKIVGVFAS
NLIMAQGVGQAIAENKLSDKVKVIGFDSDDKTLGFLKSGAIAGLVVQDPY
RMGYDGIKTALAVSKGEKVEANVDTGANLVTKANMSDPKIEALIN

Ligand information

• Ligand ID: ARA
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
• InChIKey: SRBFZHDQGSBBOR-QMKXCQHVSA-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[C@H]1CO[C@@H](O)[C@H](O)[C@H]1O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: alpha-L-arabinopyranose;
  alpha-L-arabinose;
  L-arabinose;
  arabinose
• ChEMBL: CHEMBL505348
• ZINC: ZINC000001532575
• PDB chain: 4rxt Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4rxt Crystal Structure of Sugar Binding Transporter Arad_9553 from Agrobacterium Radiobacter, Target Efi-511541
• Resolution: 1.35 Å
• Binding residue (original residue number in PDB): K42 Y48 E75 D123 S176 R180 N231 D257 Q277
• Binding residue (residue number reindexed from 1): K12 Y18 E45 D93 S146 R150 N201 D227 Q247
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:4rxt, PDBe:4rxt, PDBj:4rxt
• PDBsum: 4rxt
• UniProt: B9JKX8