Structure of PDB 6yjt Chain BBB Binding Site BS01

Receptor Information
>6yjt Chain BBB (length=506) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLAEIRTDFNILYSMMKKHEEFRWMRLRIRRMADAWIQAIKSLAEKQNLE
KRKRKKVLVHLGLLTKESGFKIAGGPLGELVQWSDLITSLYLLGHDIRIS
ASLAELKEIMGGGGVELIYIDIVGLAQFKKTLGPSWVHYQCMLRVLDSFG
TEPEFNHANYAQSKGHKTPWGKWNLNPQQFYTMFPHTPDNSFLGFVVEQH
LNSSDIHHINEIKRQNQSLVYGKVDSFWKNKKIYLDIIHTYMEVHATVYG
TKNIPSYVKNHGILSGRDLQFLLRETKLFVGLGFPYEGPAPLEAIANGCA
FLNPKFNPPKSSKNTDFFIGKPTLRELTSQHPYAEVFIGRPHVWTVDLNN
QEEVEDAVKAILNQKIEPYMPYEFTCEGMLQRINAFIEKQDFCHGMWPPL
SALQVKLAEPGQSCKQVCQESQLICEPSFFQHLNKDKDMLKYKVTCQSSE
LAKDILVPSFDPKNKHCVFQGDLLLFSCAGAHPRHQRVCPCRDFIKGQVA
LCKDCL
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 chain6yjt Chain BBB Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6yjt Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Resolution1.7 Å
Binding residue
(original residue number in PDB)		P294 L295 G296 Y439 K441 T465 I483 L484 L489 G508 P509 A510 E513
Binding residue
(residue number reindexed from 1)		P76 L77 G78 Y221 K223 T247 I263 L264 L269 G288 P289 A290 E293
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.155: alpha-1,6-mannosyl-glycoprotein 6-beta-N-acetylglucosaminyltransferase.
Gene Ontology
Molecular Function
GO:0030144 alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase activity
Biological Process
GO:0006487 protein N-linked glycosylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6yjt, PDBe:6yjt, PDBj:6yjt
PDBsum6yjt
PubMed
UniProtQ09328|MGT5A_HUMAN Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A (Gene Name=MGAT5)

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