Structure of PDB 5wt1 Chain A Binding Site BS02

Receptor Information
>5wt1 Chain A (length=332) Species: 272844 (Pyrococcus abyssi GE5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSGVKVRREDAKKVLELLKSVGILDGKRKAIRDEKYVIFPVTDTNIAKSL
GLEVVDVELPMRPERQIYKNLEDLLPREIFKKLGRLDIVGDIAIVSIPDE
ILSEREVIVSAIRKLYPKVKVIARRGFHSGLYRIRELEVIWGENRLHTIH
KENGVLIKVDLSKVFFNPRMKGERYRIAQLVNDGERILVPFAGVIPYPLV
IARFKNVEVYAVEINEFAVKLAEENLELNRDRLKGKIKIIHGDVFEVLPN
LPNFDRVVSPTPKGVDALSLTLSKAEKFLHYYDFVHESEIERFRERVLEE
CRRQGKECRVSVRKVSDYKPHVYKVCADVEIL
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain5wt1 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5wt1 Structural insight into the methyltransfer mechanism of the bifunctional Trm5.
Resolution2.598 Å
Binding residue
(original residue number in PDB)		Y132 F165 F191 P196 Y197 E213 I214 D243 V244
Binding residue
(residue number reindexed from 1)		Y132 F165 F191 P196 Y197 E213 I214 D243 V244
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.-
2.1.1.228: tRNA (guanine(37)-N(1))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008175 tRNA methyltransferase activity
GO:0016740 transferase activity
GO:0052906 tRNA (guanine(37)-N1)-methyltransferase activity
Biological Process
GO:0002939 tRNA N1-guanine methylation
GO:0008033 tRNA processing
GO:0030488 tRNA methylation
GO:0032259 methylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5wt1, PDBe:5wt1, PDBj:5wt1
PDBsum5wt1
PubMed29214216
UniProtQ9V2G1|TAW22_PYRAB tRNA (guanine(37)-N1)/4-demethylwyosine(37)-methyltransferase Taw22 (Gene Name=taw22)

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