Structure of PDB 4m4k Chain A Binding Site BS01

Receptor Information

>4m4k Chain A (length=238) Species: 7227 (Drosophila melanogaster)

VHKMALLVPFRDRFEELLQFVPHMTAFLKRQGVAHHIFVLNQVDRFRFNR
ASLINVGFQFASDVYDYIAMHDVDLLPLNDNLLYEYPSSLGPLHIAGPKL
HPKYHYDNFVGGILLVRREHFKQMNGMSNQYWGWGLENDEFFVRIRDAGL
QVTRPQNIKTGTNDTFSHIHNRYHRKRDTQKCFNQKEMTRKRDHKTGLDN
VKYKILKVHEMLIDQVPVTILNILLDCDVNKTPWCDCS

Ligand information

• Ligand ID: XYP
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
• InChIKey: SRBFZHDQGSBBOR-KKQCNMDGSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: beta-D-xylopyranose;
  beta-D-xylose;
  D-xylose;
  xylose
• ZINC: ZINC000001529215
• PDB chain: 4m4k Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4m4k Crystal Structures of beta-1,4-Galactosyltransferase 7 Enzyme Reveal Conformational Changes and Substrate Binding.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): Y177 Y179 F182 G208 L209 N211 D212
• Binding residue (residue number reindexed from 1): Y104 Y106 F109 G135 L136 N138 D139
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D145 D147 W207 E210 N211 T238 H241 H243
• Catalytic site (residue number reindexed from 1): D72 D74 W134 E137 N138 T165 H168 H170
• Enzyme Commision number: 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:4m4k, PDBe:4m4k, PDBj:4m4k
• PDBsum: 4m4k
• PubMed: 24052259
• UniProt: Q9VBZ9|B4GT7_DROME Beta-1,4-galactosyltransferase 7 (Gene Name=beta4GalT7)