Structure of PDB 4ap6 Chain B Binding Site BS01

Receptor Information
>4ap6 Chain B (length=389) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRRRYLLYDVNPPAGFNLRRDVYIRIASLLKTLLKTEEWVLVLPPWGRLY
HWQSPDIHQVRIPWSEFFDLPSLNKNIPVIEYEQFIAESGGPFIDQVYVL
QSYAEGWKEGTWEEKVDERPCIDQLLYSQDKHEYYRGWFWGYEETRGLNV
SCLSVQGSASIVAPLLLRNTSARSVMLDRAENLLHDHYGGKEYWDTRRSM
VFARHLREVGDEFRSRHLNSTDDADRIPFQEDWMKMKVKLGSALGGPYLG
VHLRRKDFIWGHRQDVPSLEGAVRKIRSLMKTHRLDKVFVATDAVRKEYE
ELKKLLPEMVRFEPTWEELELYKDGGVAIIDQWICAHARFFIGTSVSTFS
FRIHEEREILGLDPKTTYNRFCGDQEKACEQPTHWKITY
Ligand information
Ligand IDGFB
InChIInChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1
InChIKeyLQEBEXMHBLQMDB-JGQUBWHWSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)C)O)O)N
OpenEye OEToolkits 1.9.2CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O
OpenEye OEToolkits 1.9.2C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O
CACTVS 3.385C[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)n3cnc4C(=O)NC(=Nc34)N)[C@@H](O)[C@H](O)[C@@H]1O
CACTVS 3.385C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1O
FormulaC16 H25 N5 O15 P2
NameGUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE
ChEMBLCHEMBL1229250
DrugBankDB18689
ZINCZINC000008551145
PDB chain4ap6 Chain B Residue 1430 [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]
PDB4ap6 Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation.
Resolution3.401 Å
Binding residue
(original residue number in PDB)		G55 N57 H292 R294 A331 T332 D371 T388 F389
Binding residue
(residue number reindexed from 1)		G15 N17 H252 R254 A291 T292 D331 T348 F349
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.221: peptide-O-fucosyltransferase.
Gene Ontology
Molecular Function
GO:0008417 fucosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0046922 peptide-O-fucosyltransferase activity
Biological Process
GO:0001707 mesoderm formation
GO:0006004 fucose metabolic process
GO:0006486 protein glycosylation
GO:0010468 regulation of gene expression
GO:0010717 regulation of epithelial to mesenchymal transition
GO:0036065 fucosylation
GO:0036066 protein O-linked fucosylation
GO:0051046 regulation of secretion
GO:1903334 positive regulation of protein folding
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ap6, PDBe:4ap6, PDBj:4ap6
PDBsum4ap6
PubMed22588082
UniProtQ9Y2G5|OFUT2_HUMAN GDP-fucose protein O-fucosyltransferase 2 (Gene Name=POFUT2)

[Back to BioLiP]