Structure of PDB 1v83 Chain B Binding Site BS02

Receptor Information
>1v83 Chain B (length=241) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALPTIHVVTPTYSRPVQKAELTRMANTLLHVPNLHWLVVEDAPRRTPLTA
RLLRDTGLNYTHLHVETPRIPRGTMQRNLALRWLRETFPRNSSQPGVVYF
ADDDNTYSLELFEEMRSTRRVSVWPVAFVGGLRYEAPRVNGAGKVVRWKT
VFDPHRPFAIDMAGFAVNLRLILQRSQAYFKLRGVKGGYQESSLLRELVT
LNDLEPKAANCTKILVWHTRTEKPVLVNEGKKGFTDPSVEI
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain1v83 Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1v83 Structural Basis for Acceptor Substrate Recognition of a Human Glucuronyltransferase, GlcAT-P, an Enzyme Critical in the Biosynthesis of the Carbohydrate Epitope HNK-1
Resolution1.9 Å
Binding residue
(original residue number in PDB)		P91 T92 Y93 D122 R165 D195 D196 D197 H311 R313
Binding residue
(residue number reindexed from 1)		P10 T11 Y12 D41 R72 D102 D103 D104 H218 R220
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D197 E284
Catalytic site (residue number reindexed from 1) D104 E191
Enzyme Commision number 2.4.1.135: galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase.
Gene Ontology
Molecular Function
GO:0015018 galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1v83, PDBe:1v83, PDBj:1v83
PDBsum1v83
PubMed14993226
UniProtQ9P2W7|B3GA1_HUMAN Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 1 (Gene Name=B3GAT1)

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