Structure of PDB 3rmw Chain A Binding Site BS01

Receptor Information
>3rmw Chain A (length=250) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMTDQAFVTLTTNDAYAKGALVLGSSLKQHRTTRRLVVLATPQVSDSMRK
VLETVFDEVIMVDVLDSGDSAHLTLMKRPELGVMLTKLHCWSLTQYSKCV
FMDADTLVLANIDDLFDREELSAAPDPGWPDCFNSGVFVYQPSVETYNQL
LHLASEQGSFDGGDQGILNTFFSSWATTDIRKHLPFIYNLSSISPAFKVF
GASAKVVHFLGRVKPWNYTYDPKTKSVKSHPEFLILWWNIFTTNVLPLLQ
Ligand information
Ligand IDUPG
InChIInChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKeyHSCJRCZFDFQWRP-JZMIEXBBSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
CACTVS 3.370OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
FormulaC15 H24 N2 O17 P2
NameURIDINE-5'-DIPHOSPHATE-GLUCOSE;
URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
ChEMBLCHEMBL375951
DrugBankDB01861
ZINCZINC000008215472
PDB chain3rmw Chain A Residue 263 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3rmw Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		L9 T10 T11 Y15 D102 A103 D104 N133 G135 G162 Q164 H212 K218
Binding residue
(residue number reindexed from 1)		L10 T11 T12 Y16 D103 A104 D105 N134 G136 G163 Q165 H208 K214
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.186: glycogenin glucosyltransferase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:3rmw, PDBe:3rmw, PDBj:3rmw
PDBsum3rmw
PubMed22160680
UniProtP46976|GLYG_HUMAN Glycogenin-1 (Gene Name=GYG1)

[Back to BioLiP]