Structure of PDB 5byn Chain A Binding Site BS03

Receptor Information

>5byn Chain A (length=235) Species: 28957 (Canavalia lineata)

ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSNHETNALHFVFNQFSKDQKDLILQGDATTGTDG
NLELTRVSSNGSPQGNSVGRALFYAPVHIWESSAVVASFDATFTFLIKSS
DSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN

Ligand information

• Ligand ID: 4WM
• InChI: InChI=1S/C16H31NO4Se/c1-16(2,3)21-15(20)17-12(9-10-14(18)19)11-22-13-7-5-4-6-8-13/h5,7,12-15,17-20H,4,6,8-11H2,1-3H3/t12-,13-,15+/m1/s1
• InChIKey: UREOHWFKMYYNAM-NFAWXSAZSA-N
• SMILES:
  OpenEye OEToolkits 1.9.2: CC(C)(C)O[C@@H](N[C@H](CCC(O)O)C[Se][C@H]1CCCC=C1)O
  CACTVS 3.385: CC(C)(C)O[CH](O)N[CH](CCC(O)O)C[Se][CH]1CCCC=C1
  ACDLabs 12.01: N(C(O)OC(C)(C)C)C(CCC(O)O)C[Se]C1C=CCCC1
  OpenEye OEToolkits 1.9.2: CC(C)(C)OC(NC(CCC(O)O)C[Se]C1CCCC=C1)O
  CACTVS 3.385: CC(C)(C)O[C@H](O)N[C@H](CCC(O)O)C[Se][C@H]1CCCC=C1
• Formula: C16 H31 N O4 Se
• Name: (4R)-4-{[(S)-tert-butoxy(hydroxy)methyl]amino}-5-[(1S)-cyclohex-2-en-1-ylselanyl]pentane-1,1-diol
• PDB chain: 5byn Chain A Residue 306

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5byn Canavalia maritima lectin complexed with synthetic selenoamino acid
• Resolution: 2.651 Å
• Binding residue (original residue number in PDB): H127 D192 T194
• Binding residue (residue number reindexed from 1): H125 D190 T192
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0005537 D-mannose binding
• GO:0030246 carbohydrate binding
• GO:0046872 metal ion binding

External links

• PDB: RCSB:5byn, PDBe:5byn, PDBj:5byn
• PDBsum: 5byn
• UniProt: P81460|CONA_CANLI Concanavalin-A