Structure of PDB 4jwh Chain B Binding Site BS01

Receptor Information
>4jwh Chain B (length=180) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLGKVVPSSIRIVLDCAFDDLMNDKEINSLCQQVTRCHSANRTALHPVEL
FATNFGGRLKTRQDFVLKGQQNNWKRYNPTTKSYLEEFESQKEKLVYLSA
DSDNTITELDEDKIYIIGAIVDKNRYKNLCQNKASEQGIKTAKLPIDEYI
KILTVNQVFEILSLWLEYRDWEKAFMEVIP
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 chain4jwh Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jwh Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		L183 S184 A185 I202 G203 D207 N209 Y211 L214 C215 K228 L229 I242 L243 V248
Binding residue
(residue number reindexed from 1)		L98 S99 A100 I117 G118 D122 N124 Y126 L129 C130 K143 L144 I152 L153 V158
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.221: tRNA (guanine(9)-N(1))-methyltransferase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0008168 methyltransferase activity
GO:0052905 tRNA (guanosine(9)-N1)-methyltransferase activity
Biological Process
GO:0002939 tRNA N1-guanine methylation
GO:0008033 tRNA processing
GO:0032259 methylation
Cellular Component
GO:0005634 nucleus
GO:0005730 nucleolus
GO:0005737 cytoplasm

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4jwh, PDBe:4jwh, PDBj:4jwh
PDBsum4jwh
PubMed24081582
UniProtO14214|TRM10_SCHPO tRNA (guanine(9)-N1)-methyltransferase (Gene Name=trm10)

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