Structure of PDB 2p6f Chain B Binding Site BS02

Receptor Information
>2p6f Chain B (length=436) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKAKKLENLLKLLQLNNDHKFWRTQPVKDFDEKVVEEGPIDKPKTPEDIS
DKPLPLLSSFEWCSIDVDNKKQLEDVFVLLNENYVEDRDAGFRFNYTKEF
FNWALKSPGWKKDWHIGVRVKETQKLVAFISAIPVTLGVRGKQVPSVEIN
FLCVHKQLRSKRLTPVLIKEITRRVNKCDIWHALYTAGIVLPAPVSTCRY
THRPLNWKKLYEVDFTGLPDGHTEEDMIAENALPAKTKTAGLRKLKKEDI
DQVFELFKRYQSRFELIQIFTKEEFEHNFIGEESLPLDKQVIFSYVVEQP
DGKITDFFSFYSLPFTILNNTKYKDLGIGYLYYYATDADFQFKDRFDPKA
TKALKTRLCELIYDACILAKNANMDVFNALTSQDNTLFLDDLKFGPGDGF
LNFYLFNYRAKPITGGLNPDNSNDIKRRSNVGVVML
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 B Residue 702 [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 D233 F234
Binding residue
(residue number reindexed from 1)		F92 D214 F215
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N169 F170 L171 T205 L455
Catalytic site (residue number reindexed from 1) N150 F151 L152 T186 L436
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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