Structure of PDB 7mg7 Chain A Binding Site BS03

Receptor Information

>7mg7 Chain A (length=232) Species: 3823 (Canavalia ensiformis)

ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSTNALHFMFNQFSKDQKDLILQGDATTGTDGNLE
LTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSH
PADGIAFFISNIDSSIPSGSTGRLLGLFPDAN

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: 7mg7 Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mg7 Redefining Protein Interfaces within Protein Single Crystals with DNA.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): Y12 N14 G98 L99 Y100 A207 D208 G227 R228
• Binding residue (residue number reindexed from 1): Y12 N14 G98 L99 Y100 A202 D203 G222 R223
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:7mg7, PDBe:7mg7, PDBj:7mg7
• PDBsum: 7mg7
• PubMed: 34096291
• UniProt: P02866|CONA_CANEN Concanavalin-A