Structure of PDB 6f5z Chain B Binding Site BS01

Receptor Information
>6f5z Chain B (length=228) Species: 309800 (Haloferax volcanii DS2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVRDEFDAWAARDKGMEDRHWHTAKHALARMPVEEGDTVVDLGTGSGYAL
RALRDTKGIGRGFGLDGSPEMVQNARAYTDTDDLSFLVGDFDDLPFDDDS
VDHVWSMEAFYYAADPHHTLEEIARILKPGGTFYCAVNYYEENVHSHEWQ
EHISIDMTRWSHAEYREAFRDAGLHVAEQDSIADLDIDIPAATEFPTDDW
ETREAMVERYRTFGTLLTVGVAPHHHHH
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 chain6f5z Chain B Residue 302 [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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PDB6f5z Evolutionary insights into Trm112-methyltransferase holoenzymes involved in translation between archaea and eukaryotes.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		V3 F7 M19 H23 G46 Y51 D69 G70 M74 D93 F94 M110 E111 A112 Y115
Binding residue
(residue number reindexed from 1)		V2 F6 M16 H20 G43 Y48 D66 G67 M71 D90 F91 M107 E108 A109 Y112
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0003838 sterol 24-C-methyltransferase activity
GO:0008168 methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0016740 transferase activity
Biological Process
GO:0016126 sterol biosynthetic process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6f5z, PDBe:6f5z, PDBj:6f5z
PDBsum6f5z
PubMed30010922
UniProtD4GYL4

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