Structure of PDB 4irq Chain C Binding Site BS01

Receptor Information

>4irq Chain C (length=249) Species: 9606 (Homo sapiens)

DIPEHWEEDASWGPHRLAVLVPFRERFEELLVFVPHMRRFLSRKKIRHHI
YVLNQVDHFRFNRAALINVGFLESSNSTDYIAMHDVDLLPLNEELDYGFP
EAGPFHVASPELHPLYHYKTYVGGILLLSKQHYRLCNGMSNRFWGWGRED
DEFYRRIKGAGLQLFRPSGITTGYKTFRHLHDPAWRKRDQKRIAAQKQEQ
FKVDREGGLNTVKYHVASRTALSVGGAPCTVLNIMLDCDKTATPWCTFS

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: 4irq Chain C Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4irq Crystal structures of beta-1,4-galactosyltransferase 7 enzyme reveal conformational changes and substrate binding.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D165 H257 H259
• Binding residue (residue number reindexed from 1): D87 H179 H181
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D163 D165 W224 E227 D228 T254 H257 H259
• Catalytic site (residue number reindexed from 1): D85 D87 W146 E149 D150 T176 H179 H181
• Enzyme Commision number: 2.4.1.-
  2.4.1.133: xylosylprotein 4-beta-galactosyltransferase.

Gene Ontology

Molecular Function

• GO:0016757 glycosyltransferase activity

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:4irq, PDBe:4irq, PDBj:4irq
• PDBsum: 4irq
• PubMed: 24052259
• UniProt: Q9UBV7|B4GT7_HUMAN Beta-1,4-galactosyltransferase 7 (Gene Name=B4GALT7)