Structure of PDB 4h3z Chain B Binding Site BS01

Receptor Information
>4h3z Chain B (length=256) Species: 391038 (Paraburkholderia phymatum STM815) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMQFDIVTLFPDMFRALTDWGITSRAAKQERYGLRTWNPRDFTTDNYRT
IDDRPYGGGPGMVMLARPLEDAINAAKAAQAEQGIGGARVVMMSPQGATL
NHDKVMRFAAEPGLILLCGRYEAIDQRLIDRVVDEEVSLGDFVLSGGELP
AMALIDAVVRHLPGVLNDAQSAVQDSFVDGLLDCPHYTRPEEYDGVRVPD
VLLGGHHAEIEQWRRREALRNTWLKRPDLIVQARKNKLLSRADEAWLASL
AKDASK
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 chain4h3z Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4h3z Combining functional and structural genomics to sample the essential Burkholderia structome.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D173 S174 D181
Binding residue
(residue number reindexed from 1)		D175 S176 D183
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) P93 E120 R158 D173
Catalytic site (residue number reindexed from 1) P95 E122 R160 D175
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4h3z, PDBe:4h3z, PDBj:4h3z
PDBsum4h3z
PubMed23382856
UniProtB2JF31|TRMD_PARP8 tRNA (guanine-N(1)-)-methyltransferase (Gene Name=trmD)

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