Structure of PDB 5ava Chain D Binding Site BS02

Receptor Information

>5ava Chain D (length=238) Species: 3885 (Phaseolus vulgaris)

ASQTSFSFQRFNETNLILQRDATVSSKGQLRLTNVNDNGEPTLSSLGRAF
YSAPIQIWDNTTGAVASFATSFTFNIDVPNNSGPADGLAFVLLPVGSQPK
DKGGLLGLFNNYKYDSNAHTVAVEFDTLYNVHWDPKPRHIGIDVNSIKSI
KTTTWDFVKGENAEVLITYDSSTKLLVASLVYPSLKTSFIVSDTVDLKSV
LPEWVIVGFTATTGITKGNVETNDILSWSFASKLSDGT

Ligand information

• Ligand ID: GAL
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
• InChIKey: WQZGKKKJIJFFOK-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 5ava Chain L Residue 5

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ava Atomic visualization of a flipped-back conformation of bisected glycans bound to specific lectins
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): Y150 N240
• Binding residue (residue number reindexed from 1): Y129 N219
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:5ava, PDBe:5ava, PDBj:5ava
• PDBsum: 5ava
• PubMed: 26971576
• UniProt: P05088|PHAE_PHAVU Erythroagglutinating phytohemagglutinin (Gene Name=DLEC1)