Structure of PDB 3a27 Chain A Binding Site BS01

Receptor Information
>3a27 Chain A (length=219) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYQKIGDVVIVCKAILLYTHVKILYGKETETIHKEYGCLFKLDVAKIMWS
QGNIEERKRMAFISNENEVVVDMFAGIGYFTIPLAKYSKPKLVYAIEKNP
TAYHYLCENIKLNKLNNVIPILADNRDVELKDVADRVIMGYVHKTHKFLD
KTFEFLKDRGVIHYHETVAEKIMYERPIERLKFYAEKNGYKLIDYEVRKI
KKYAPGVWHVVVDAKFERI
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain3a27 Chain A Residue 250 [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]
PDB3a27 Structural basis of AdoMet-dependent aminocarboxypropyl transfer reaction catalyzed by tRNA-wybutosine synthesizing enzyme, TYW2
Resolution2.005 Å
Binding residue
(original residue number in PDB)		S80 N83 F104 Y109 E127 K128 D154 N155 Y171
Binding residue
(residue number reindexed from 1)		S50 N53 F74 Y79 E97 K98 D124 N125 Y141
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.114: tRNA(Phe) (4-demethylwyosine(37)-C(7)) aminocarboxypropyltransferase.
Gene Ontology
Molecular Function
GO:0008175 tRNA methyltransferase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0102522 tRNA 4-demethylwyosine alpha-amino-alpha-carboxypropyltransferase activity
Biological Process
GO:0006400 tRNA modification
GO:0008033 tRNA processing
GO:0030488 tRNA methylation
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3a27, PDBe:3a27, PDBj:3a27
PDBsum3a27
PubMed19717466
UniProtQ58952|TYW2_METJA tRNA(Phe) (4-demethylwyosine(37)-C(7)) aminocarboxypropyltransferase (Gene Name=taw2)

[Back to BioLiP]