Structure of PDB 4kgn Chain E Binding Site BS01

Receptor Information
>4kgn Chain E (length=156) Species: 320372 (Burkholderia pseudomallei 1710b) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFNVVLVEPEIPPNTGNVIRLCANTGARLHLIEPLGFPLDDAKMRRAGLD
YHEYAQMRVHRDWDAFVAAEAPDPARMFAFTTRGSGRFHDRAFEPGDWFV
FGAETRGLAPALVDRFAPEQRVRLPMRPGNRSLNLSNTVAVVVFEAWRQA
GFEGGA
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 chain4kgn Chain E Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kgn Crystal structure of a TrmH family tRNA methyltransferase bound to S-adenosyl homocysteine
Resolution2.15 Å
Binding residue
(original residue number in PDB)		F80 T81 T82 G102 A103 T105 R106 G107 R123 L124 M126 L133 T138
Binding residue
(residue number reindexed from 1)		F80 T81 T82 G102 A103 T105 R106 G107 R123 L124 M126 L133 T138
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.207: tRNA (cytidine(34)-2'-O)-methyltransferase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0008168 methyltransferase activity
GO:0008173 RNA methyltransferase activity
GO:0008175 tRNA methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0141098 tRNA (cytidine(34)-2'-O)-methyltransferase activity
GO:0141102 tRNA (5-carboxymethylaminomethyluridine(34)-2'-O)-methyltransferase activity
Biological Process
GO:0001510 RNA methylation
GO:0002131 wobble position cytosine ribose methylation
GO:0002132 wobble position uridine ribose methylation
GO:0006396 RNA processing
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:4kgn, PDBe:4kgn, PDBj:4kgn
PDBsum4kgn
PubMed
UniProtQ3JWH1

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