Structure of PDB 3ioi Chain A Binding Site BS01

Receptor Information

>3ioi Chain A (length=274) Species: 9606 (Homo sapiens)

SLPRMVYPQPKVLTPCRKDVLVVTPWLAPIVWEGTFNIDILNEQFRLQNT
TIGLTVFAIKKYVAFLKLFLETAEKHFMVGHRVHYYVFTDQPAAVPRVTL
GTGRQLSVLEVRAMRRMEMISDFCERRFLSEVDYLVCVDVDMEFRDHVGV
EILTPLFGTLHPGFYGSSREAFTYERRPQSQAYIPKDEGDFYYGGAFFGG
SVQEVQRLTRACHQAMMVDQANGIEAVWHDESHLNKYLLRHKPTKVLSPE
YLWDQQLLGWPAVLRKLRFTAVPK

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 3ioi Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ioi Structural and mechanistic basis for a new mode of glycosyltransferase inhibition.
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): D211 D213
• Binding residue (residue number reindexed from 1): D139 D141
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H233 G266 W300 E303 A343
• Catalytic site (residue number reindexed from 1): H161 G194 W228 E231 A271
• Enzyme Commision number: 2.4.1.37: fucosylgalactoside 3-alpha-galactosyltransferase.
  2.4.1.40: glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase.

Gene Ontology

Molecular Function

• GO:0016758 hexosyltransferase activity

Biological Process

• GO:0005975 carbohydrate metabolic process

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3ioi, PDBe:3ioi, PDBj:3ioi
• PDBsum: 3ioi
• PubMed: 20364127
• UniProt: P16442|BGAT_HUMAN Histo-blood group ABO system transferase (Gene Name=ABO)