Structure of PDB 1z3c Chain A Binding Site BS01

Receptor Information
>1z3c Chain A (length=252) Species: 6035 (Encephalitozoon cuniculi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKTINIRNANNFIKACLIRLYTKRGDSVLDLGCGKGGDLLKYERAGIGEY
YGVDIAEVSINDARVRARNMKRRFKVFFRAQDSYGRHMDLGKEFDVISSQ
FSFHYAFSTSESLDIAQRNIARHLRPGGYFIMTVPSRDVILERYKQGRMS
NDFYKIELEKMEDVPMESVREYRFTLLDSVNNCIEYFVDFTRMVDGFKRL
GLSLVERKGFIDFYEDEGRRNPELSKKMGLGCLTREESEVVGIYEVVVFR
KL
Ligand information
Ligand IDSA8
InChIInChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
InChIKeyJISVTSUBJCPLSV-TWBCTODHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341CN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.341CN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04O=C(O)C(N)CCN(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0C[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
FormulaC15 H23 N7 O5
NameS-5'-AZAMETHIONINE-5'-DEOXYADENOSINE;
5'-[N-[(3S)-3-AMINO-3-CARBOXYPROPYL]-N-METHYLAMINO]-5'-DEOXYADENOSINE
ChEMBLCHEMBL1235825
DrugBankDB03458
ZINC
PDB chain1z3c Chain A Residue 299 [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]
PDB1z3c Encephalitozoon cuniculi mRNA cap (guanine N-7) methyltransferase: methyl acceptor specificity, inhibition BY S-adenosylmethionine analogs, and structure-guided mutational analysis.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		K54 G72 D94 I95 D122 S123 Y124 Q140 F141 S142 Y145
Binding residue
(residue number reindexed from 1)		K14 G32 D54 I55 D82 S83 Y84 Q100 F101 S102 Y105
Annotation score3
Binding affinityMOAD: ic50=100uM
PDBbind-CN: -logKd/Ki=4.00,IC50=100uM
Enzymatic activity
Enzyme Commision number 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity
GO:0008168 methyltransferase activity
Biological Process
GO:0006370 7-methylguanosine mRNA capping
GO:0032259 methylation
GO:0106005 RNA 5'-cap (guanine-N7)-methylation
Cellular Component
GO:0005634 nucleus

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1z3c, PDBe:1z3c, PDBj:1z3c
PDBsum1z3c
PubMed15760890
UniProtQ8SR66|MCES_ENCCU mRNA cap guanine-N7 methyltransferase (Gene Name=ABD1)

[Back to BioLiP]