Structure of PDB 2p6f Chain F Binding Site BS02

Receptor Information
>2p6f Chain F (length=435) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKAKKLENLLKLLQLNNHKFWRTQPVKDFDEKVVEEGPIDKPKTPEDISD
KPLPLLSSFEWCSIDVDNKKQLEDVFVLLNENYVEDRDAGFRFNYTKEFF
NWALKSPGWKKDWHIGVRVKETQKLVAFISAIPVTLGVRGKQVPSVEINF
LCVHKQLRSKRLTPVLIKEITRRVNKCDIWHALYTAGIVLPAPVSTCRYT
HRPLNWKKLYEVDFTGLPDGHTEEDMIAENALPAKTKTAGLRKLKKEDID
QVFELFKRYQSRFELIQIFTKEEFEHNFIGEESLPLDKQVIFSYVVEQPD
GKITDFFSFYSLPFTILNNTKYKDLGIGYLYYYATDADFQFKDRFDPKAT
KALKTRLCELIYDACILAKNANMDVFNALTSQDNTLFLDDLKFGPGDGFL
NFYLFNYRAKPITGGLNPDNSNDIKRRSNVGVVML
Ligand information
Ligand IDGN8
InChIInChI=1S/C17H12N2O4S2/c20-15-12(7-4-8-13(15)19(22)23)9-14-16(21)18(17(24)25-14)10-11-5-2-1-3-6-11/h1-9,20H,10H2/b14-9-
InChIKeyZTWBCEZQPRYIGY-ZROIWOOFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CN2C(=O)/C(=C/c3cccc(c3O)[N+](=O)[O-])/SC2=S
CACTVS 3.341Oc1c(cccc1[N+]([O-])=O)C=C2SC(=S)N(Cc3ccccc3)C2=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CN2C(=O)C(=Cc3cccc(c3O)[N+](=O)[O-])SC2=S
ACDLabs 10.04S=C1S/C(C(=O)N1Cc2ccccc2)=C\c3cccc([N+]([O-])=O)c3O
CACTVS 3.341Oc1c(cccc1[N+]([O-])=O)/C=C/2SC(=S)N(Cc3ccccc3)C/2=O
FormulaC17 H12 N2 O4 S2
Name(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE
ChEMBL
DrugBankDB07838
ZINCZINC000016479722
PDB chain2p6f Chain F Residue 706 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2p6f Crystal structures of Saccharomyces cerevisiae N-myristoyltransferase with bound myristoyl-CoA and inhibitors reveal the functional roles of the N-terminal region.
Resolution3.1 Å
Binding residue
(original residue number in PDB)
F111 G207 D233 F234 F334
Binding residue
(residue number reindexed from 1)
F91 G187 D213 F214 F314
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N169 F170 L171 T205 L455
Catalytic site (residue number reindexed from 1) N149 F150 L151 T185 L435
Enzyme Commision number 2.3.1.97: glycylpeptide N-tetradecanoyltransferase.
Gene Ontology
Molecular Function
GO:0004379 glycylpeptide N-tetradecanoyltransferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0006499 N-terminal protein myristoylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:2p6f, PDBe:2p6f, PDBj:2p6f
PDBsum2p6f
PubMed17513302
UniProtP14743|NMT_YEAST Glycylpeptide N-tetradecanoyltransferase (Gene Name=NMT1)

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