Structure of PDB 1qot Chain D Binding Site BS01

Receptor Information

>1qot Chain D (length=236) Species: 3902 (Ulex europaeus)

SDDLSFNFDKFVPNQKNIIFQGDASVSTTGVLQVTKVSKPTTTSIGRALY
AAPIQIWDSITGKVASFATSFSFVVKADKSDGVDGLAFFLAPANSQIPSG
SSAGMFGLFSSSDSKSSNQIIAVEFDTYFGKAYNPWDPDFKHIGIDVNSI
KSIKTVKWDWRNGEVADVVITYRAPTKSLTVCLSYPSDGTSNIITASVDL
KAILPEWVSVGFSGGVGNAAEFETHDVLSWYFTSNL

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: 1qot Chain H Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1qot Structural Basis of Carbohydrate Recognition by Lectin II from Ulex Europaeus, a Protein with a Promiscuous Carbohydrate Binding Site
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): V85 D86 Y130 Y135 G219 N220 E223
• Binding residue (residue number reindexed from 1): V83 D84 Y128 Y133 G217 N218 E221
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding
• GO:0046872 metal ion binding

External links

• PDB: RCSB:1qot, PDBe:1qot, PDBj:1qot
• PDBsum: 1qot
• PubMed: 10966800
• UniProt: Q9FVF8