Structure of PDB 4ig6 Chain A Binding Site BS01

Receptor Information
>4ig6 Chain A (length=223) Species: 212042 (Anaplasma phagocytophilum str. HZ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMIFNVLTIFPQMFPGPLGVSNLGSALKKGLWTLNVFDIRAFANNKHNTV
DDTPYGGGPGMLLRADVLGRCIDEVLSLHPNTKLMFTSPRGVSFTQDIAR
QTMNFDNITLLCGRFEGIDERVVDFYKLQEVSIGDYVLSGGELAAMVIID
TCVRMVPGVIGNAESLKQESMEGSLEYPQYTRPASWKGMEVPEVLLTGNH
GEIEKWRRNASLSITAARRPDLL
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 chain4ig6 Chain A Residue 301 [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]
PDB4ig6 Crystal structure of a tRNA (guanine-N1)-methyltransferase from Anaplasma phagocytophilum bound to S-adenosylhomocysteine
Resolution2.4 Å
Binding residue
(original residue number in PDB)		T86 S87 P88 G112 F114 E115 S131 L137 G139 G140
Binding residue
(residue number reindexed from 1)		T87 S88 P89 G113 F115 E116 S132 L138 G140 G141
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) P88 E115 R153 E168
Catalytic site (residue number reindexed from 1) P89 E116 R154 E169
Enzyme Commision number 2.1.1.228: tRNA (guanine(37)-N(1))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0052906 tRNA (guanine(37)-N1)-methyltransferase activity
Biological Process
GO:0002939 tRNA N1-guanine methylation
GO:0006400 tRNA modification
GO:0008033 tRNA processing
GO:0032259 methylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ig6, PDBe:4ig6, PDBj:4ig6
PDBsum4ig6
PubMed
UniProtQ2GIL5|TRMD_ANAPZ tRNA (guanine-N(1)-)-methyltransferase (Gene Name=trmD)

[Back to BioLiP]