Structure of PDB 5h4s Chain A Binding Site BS01

Receptor Information

>5h4s Chain A (length=284) Species: 39971 (Toxopneustes pileolus)

AVGRTCEGKSLDLECPEGYIISVNYANYGRNSPGICPHKSSNAPPCSASS
SLRIINEHCDGRSSCSVHATNDVFGDPCRGVYKYLEVDYSCRRDPDCQRE
LDCEGNSINMLCPYAETPAIHICYAMYGRQTSEPVCPSKSISTTNCAASS
SLSTARSVCEGRSECSIAASNDVFGDPCIGTYKYLEIDYICARRGRSCEG
SSLTLSCSSGQTISVLDAFYGRTAGPEICKGNAQDQNCRAESSLNIVQSA
CNGRSSCSVNANNNVFGDPCVGTYKYLEVLYKCA

Ligand information

• Ligand ID: RAM
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1
• InChIKey: SHZGCJCMOBCMKK-HGVZOGFYSA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: alpha-L-rhamnopyranose;
  alpha-L-rhamnose;
  6-deoxy-alpha-L-mannopyranose;
  L-rhamnose;
  rhamnose
• ZINC: ZINC000003861280
• PDB chain: 5h4s Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5h4s Carbohydrate recognition by the rhamnose-binding lectin SUL-I with a novel three-domain structure isolated from the venom of globiferous pedicellariae of the flower sea urchin Toxopneustes pileolus
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): E7 D76 R79 G80 V81 Y82 K83
• Binding residue (residue number reindexed from 1): E7 D76 R79 G80 V81 Y82 K83
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:5h4s, PDBe:5h4s, PDBj:5h4s
• PDBsum: 5h4s
• PubMed: 28470711
• UniProt: A0A090BWT0