Structure of PDB 5o6h Chain B Binding Site BS01
Receptor Information
>5o6h Chain B (length=382) Species:
9606
(Homo sapiens) [
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RSYQFWDTQPVPKLGEVVNTHGPVEPDKDNIRQEPYTLPQGFTWDALDLG
DRGVLKELYTLLNENYVEDDDNMFRFDYSPEFLLWALRPPGWLPQWHCGV
RVVSSRKLVGFISAIPANIHIYDTEKKMVEINFLCVHKKLRSKRVAPVLI
REITRRVHLEGIFQAVYTAGVVLPKPVGTCRYWHRSLNPRKLIEVKFSHL
SRNMTMQRTMKLYRLPETPKTAGLRPMETKDIPVVHQLLTRYLKQFHLTP
VMSQEEVEHWFYPQENIIDTFVVENANGEVTDFLSFYTLPSTIMNHPTHK
SLKAAYSFYNVHTQTPLLDLMSDALVLAKMKGFDVFNALDLMENKTFLEK
LKFGIGDGNLQYYLYNWKCPSMGAEKVGLVLQ
Ligand information
Ligand ID
MYA
InChI
InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1
InChIKey
DUAFKXOFBZQTQE-QSGBVPJFSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
ACDLabs 12.01
O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCCCC
CACTVS 3.385
CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 2.0.7
CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
CACTVS 3.385
CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
Formula
C35 H62 N7 O17 P3 S
Name
TETRADECANOYL-COA;
MYRISTOYL-COA
ChEMBL
DrugBank
DB02180
ZINC
ZINC000195445287
PDB chain
5o6h Chain B Residue 2001 [
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Receptor-Ligand Complex Structure
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PDB
5o6h
Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Resolution
1.29 Å
Binding residue
(original residue number in PDB)
Y117 Q118 F119 W120 Y180 V181 I245 L248 C249 V250 R255 S256 R258 A260 P261 T268 F277 A279 Y281 T282 L287 Y479
Binding residue
(residue number reindexed from 1)
Y3 Q4 F5 W6 Y66 V67 I131 L134 C135 V136 R141 S142 R144 A146 P147 T154 F163 A165 Y167 T168 L173 Y365
Annotation score
3
Enzymatic activity
Enzyme Commision number
2.3.1.-
2.3.1.97
: glycylpeptide N-tetradecanoyltransferase.
Gene Ontology
Molecular Function
GO:0004379
glycylpeptide N-tetradecanoyltransferase activity
Biological Process
GO:0006499
N-terminal protein myristoylation
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:5o6h
,
PDBe:5o6h
,
PDBj:5o6h
PDBsum
5o6h
PubMed
29760414
UniProt
P30419
|NMT1_HUMAN Glycylpeptide N-tetradecanoyltransferase 1 (Gene Name=NMT1)
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