Structure of PDB 6yjv Chain BBB Binding Site BS01

Receptor Information
>6yjv Chain BBB (length=502) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLAEIRTDFNILYSMMKKHEEFRWMRLRIRRMADAWIQAIKSLAEKQNLE
KRKRKKVLVHLGLLTKESGFKIAETAFSGGPLGELVQWSDLITSLYLLGH
DIRISASLAELKEIMGGGGVELIYIDIVGLAQFKKTLGPSWVHYQCMLRV
LDSFGTEPEFNHANYAQSKGHKTPWGKWNLNPQQFYTMFPHTPDNSFLGF
VVEQHLNNEIKRQNQSLVYGKVDSFWKNKKIYLDIIHTYMEVHATVYTKN
IPSYVKNHGILSGRDLQFLLRETKLFVGLGFPYEGPAPLEAIANGCAFLN
PKFNPPKSSKNTDFFIGKPTLRELTSQHPYAEVFIGRPHVWTVDLNNQEE
VEDAVKAILNQKIEPYMPYEFTCEGMLQRINAFIEKQDFCHMWPPLSALQ
VKLAEPGQSCKQVCQESQLICEPSFFQHLNKDKDMLKYKVTCQSSELAKD
ILVPSFDPKNKHCVFQGDLLLFSCAGAHPRHQRVCPCRDFIKGQVALCKD
CL
Ligand information
Ligand IDMAN
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain6yjv Chain B Residue 1 [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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PDB6yjv Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Resolution1.7 Å
Binding residue
(original residue number in PDB)		P294 E297 F537 K541
Binding residue
(residue number reindexed from 1)		P81 E84 F314 K318
Annotation score1
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:6yjv, PDBe:6yjv, PDBj:6yjv
PDBsum6yjv
PubMed
UniProtQ09328|MGT5A_HUMAN Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A (Gene Name=MGAT5)

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