Structure of PDB 1wy7 Chain B Binding Site BS01

Receptor Information
>1wy7 Chain B (length=198) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTRKKELAIALSKLKGFKNPKVWLEQYRTPGNAASELLWLAYSLGDIEGK
VVADLGAGTGVLSYGALLLGAKEVICVEVDKEAVDVLIENLGEFKGKFKV
FIGDVSEFNSRVDIVIMNPPFGSQRKHADRPFLLKAFEISDVVYSIHLAK
PEVRRFIEKFSWEHGFVVTHRLTTKIEIPLQKKLERITVDIYRFSKVI
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 chain1wy7 Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wy7 Crystal structure of the putative RNA methyltransferase PH1948 from Pyrococcus horikoshii, in complex with the copurified S-adenosyl-L-homocysteine
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F18 L25 Q27 Y28 T30 G57 A58 G59 T60 E79 V80 D105 V106 F133
Binding residue
(residue number reindexed from 1)		F17 L24 Q26 Y27 T29 G56 A57 G58 T59 E78 V79 D104 V105 F132
Annotation score4
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0008168 methyltransferase activity
GO:0016740 transferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1wy7, PDBe:1wy7, PDBj:1wy7
PDBsum1wy7
PubMed16245322
UniProtO59611

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