Structure of PDB 3u2u Chain B Binding Site BS03

Receptor Information

>3u2u Chain B (length=263) Species: 9606 (Homo sapiens)

SMTDQAFVTLTTNDAYAKGALVLGSSLKQHRTTRRLVVLATPQVSDSMRK
VLETVFDEVIMVDVLDSGDSAHLTLMKRPELGVTLTKLHCWSLTQYSKCV
FMDADTLVLANIDDLFDREELSAAPDPGWPDCFNSGVFVYQPSVETYNQL
LHLASEQGSFDGGDQGILNTFFSSWATTDIRKHLPFIYNLSSISIYSYLP
AFKVFGASAKVVHFLGRVKPWNYTYDPKTKSVKSEAHDPNMTHPEFLILW
WNIFTTNVLPLLQ

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 3u2u Chain D Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3u2u Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis.
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): T83 D102 N133 D160 G162 D163 Q164
• Binding residue (residue number reindexed from 1): T84 D103 N134 D161 G163 D164 Q165
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.1.186: glycogenin glucosyltransferase.

Gene Ontology

Molecular Function

• GO:0016757 glycosyltransferase activity

External links

• PDB: RCSB:3u2u, PDBe:3u2u, PDBj:3u2u
• PDBsum: 3u2u
• PubMed: 22160680
• UniProt: P46976|GLYG_HUMAN Glycogenin-1 (Gene Name=GYG1)