Structure of PDB 1g55 Chain A Binding Site BS01

Receptor Information
>1g55 Chain A (length=313) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPLRVLELYSGVGGMHHALRESCIPAQVVAAIDVNTVANEVYKYNFPHTQ
LLAKTIEGITLEEFDRLSFDMILMSPPNSFLHILDILPRLQKLPKYILLE
NVKGFEVSSTRDLLIQTIENCGFQYQEFLLSPTSLGIPNSRLRYFLIAKL
QSEPLPFQAPGQVLMEFPKLSVKMLKDFLEDDTDVNQYLLPPKSLLRYAL
LLDIVQPTCRRSVCFTKGYGSYIEGTGSVLQTAEDVQVENIYKSLTNLSQ
EEQITKLLILKLRYFTPKEIANLLGFPPEFGFPEKITVKQRYRLLGNSLN
VHVVAKLIKILYE
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 chain1g55 Chain A Residue 392 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1g55 Structure of human DNMT2, an enigmatic DNA methyltransferase homolog that displays denaturant-resistant binding to DNA.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y10 S11 G12 V13 G15 D34 V35 I57 E58 S76 P78 N375 S376
Binding residue
(residue number reindexed from 1)		Y9 S10 G11 V12 G14 D33 V34 I56 E57 S75 P77 N297 S298
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E119 R160 R162
Catalytic site (residue number reindexed from 1) E100 R141 R143
Enzyme Commision number 2.1.1.204: tRNA (cytosine(38)-C(5))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:1g55, PDBe:1g55, PDBj:1g55
PDBsum1g55
PubMed11139614
UniProtO14717|TRDMT_HUMAN tRNA (cytosine(38)-C(5))-methyltransferase (Gene Name=TRDMT1)

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