Structure of PDB 8d0q Chain A Binding Site BS03

Receptor Information
>8d0q Chain A (length=297) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETTILVWVWPFGQTFDLTSCQAMFNIQGCHLTTDRSLYNKSHAVLIHHRD
ISWDLTNLPQQARPPFQKWIWMNLESPTHTPQKSGIEHLFNLTLTYRRDS
DIQVPYGFLTVSTNPFVFEVPSKEKLVCWVVSNWNPEHARVKYYNELSKS
IEIHTYGQAFGEYVNDKNLIPTISACKFYLSFENSIHKDYITEKLYNAFL
AGSVPVVLGPSRENYENYIPADSFIHVEDYNSPSELAKYLKEVDKNNKLY
LSYFNWRKDFTVNLPRFWESHACLACDHVKRHQEYKSVGNLEKWFWN
Ligand information
Ligand ID6CK
InChIInChI=1S/C16H22F3N5O15P2/c17-16(18,19)10-7(27)6(26)9(29)14(37-10)38-41(33,34)39-40(31,32)35-1-3-5(25)8(28)13(36-3)24-2-21-4-11(24)22-15(20)23-12(4)30/h2-3,5-10,13-14,25-29H,1H2,(H,31,32)(H,33,34)(H3,20,22,23,30)/t3-,5-,6-,7+,8-,9+,10-,13-,14-/m1/s1
InChIKeyCBLFMUIUVZLPER-KLZHJQHWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01NC4=Nc3n(C1C(C(C(O1)COP(=O)(O)OP(O)(=O)OC2C(C(C(C(O2)C(F)(F)F)O)O)O)O)O)cnc3C(=O)N4
OpenEye OEToolkits 2.0.4c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)[CH](O)[CH]4O)C(F)(F)F)[CH](O)[CH]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[C@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C(F)(F)F)[C@@H](O)[C@H]3O
FormulaC16 H22 F3 N5 O15 P2
Name
ChEMBL
DrugBank
ZINCZINC000584904681
PDB chain8d0q Chain A Residue 401 [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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PDB8d0q Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Resolution1.39 Å
Binding residue
(original residue number in PDB)		E137 Y168 V192 V193 S194 N195 R202 Y225 V226 D228 N246 Y252 T254 E255 K256
Binding residue
(residue number reindexed from 1)		E75 Y106 V130 V131 S132 N133 R140 Y163 V164 D166 N184 Y190 T192 E193 K194
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.152: 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase.
Gene Ontology
Molecular Function
GO:0008417 fucosyltransferase activity
Biological Process
GO:0006486 protein glycosylation
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8d0q, PDBe:8d0q, PDBj:8d0q
PDBsum8d0q
PubMed37202521
UniProtQ9Y231|FUT9_HUMAN 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 (Gene Name=FUT9)

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