Structure of PDB 5u38 Chain A Binding Site BS02

Receptor Information

>5u38 Chain A (length=239) Species: 115002 (Platypodium elegans)

TDSLSFSFINFDRDERNLIFQGDAHTSRNNILQLTRTDSNGAPVRSTVGR
ILHSAQVRLWEKSTNRVANFQTQFSFFLSSPLSNPADGIAFFIAPPDTTI
PSGSAGGLLGLFNPRTALNESANQVLAVEFDTFFAQNSNTWDPNYQHIGI
DVNSIRSSKVVRWERREGKTLNVLVTYNPSTRTIDVVATYPDGQRYQLSH
VVDLTTILPEWVRVGFSAASGEQFQTHNLESWSFTSTLL

Ligand information

• Ligand ID: MAN
• 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-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 5u38 Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5u38 Structural studies and nociceptive activity of a native lectin from Platypodium elegans seeds (nPELa).
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): A86 D87 G107 F133 G221 E222 Q223
• Binding residue (residue number reindexed from 1): A86 D87 G107 F133 G221 E222 Q223
• Annotation score: 4

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:5u38, PDBe:5u38, PDBj:5u38
• PDBsum: 5u38
• PubMed: 28867234
• UniProt: G1EUI6