Structure of PDB 2p6g Chain F Binding Site BS02

Receptor Information
>2p6g 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 ID3LP
InChIInChI=1S/C22H32N2O/c1-16-11-12-22-20(13-16)19-9-5-6-10-21(19)24(22)15-18(25)14-23-17-7-3-2-4-8-17/h11-13,17-18,23,25H,2-10,14-15H2,1H3/t18-/m0/s1
InChIKeyAXYFCRIRLKSCRR-SFHVURJKSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ccc2n(C[CH](O)CNC3CCCCC3)c4CCCCc4c2c1
ACDLabs 10.04OC(CNC1CCCCC1)Cn2c4c(c3c2CCCC3)cc(cc4)C
OpenEye OEToolkits 1.5.0Cc1ccc2c(c1)c3c(n2C[C@H](CNC4CCCCC4)O)CCCC3
OpenEye OEToolkits 1.5.0Cc1ccc2c(c1)c3c(n2CC(CNC4CCCCC4)O)CCCC3
CACTVS 3.341Cc1ccc2n(C[C@@H](O)CNC3CCCCC3)c4CCCCc4c2c1
FormulaC22 H32 N2 O
Name1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL
ChEMBLCHEMBL1230144
DrugBankDB07061
ZINCZINC000013635187
PDB chain2p6g 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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PDB2p6g Crystal structures of Saccharomyces cerevisiae N-myristoyltransferase with bound myristoyl-CoA and inhibitors reveal the functional roles of the N-terminal region.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Y219 H221 L332 Y349 D417 G418 L455
Binding residue
(residue number reindexed from 1)		Y199 H201 L312 Y329 D397 G398 L435
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:2p6g, PDBe:2p6g, PDBj:2p6g
PDBsum2p6g
PubMed17513302
UniProtP14743|NMT_YEAST Glycylpeptide N-tetradecanoyltransferase (Gene Name=NMT1)

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