Structure of PDB 6yjw Chain B Binding Site BS01
Receptor Information
>6yjw Chain B (length=353) Species:
3747
(Fragaria x ananassa) [
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AVSDEEANLFAMQLASASVLPMVLKAAIELDLLEIMAKAGPGSFLSPSDL
ASQLPTKNPEAPVMLDRMLRLLASYSILTCSLRTLPDGKVERLYCLGPVC
KFLTKNEDGVSIAALCLMNQDKVLVESWYHLKDAVLDGGIPFNKAYGMTA
FDYHGTDPRFNKVFNKGMADHSTITMKKILETYKGFEGLKSIVDVGGGTG
AVVNMIVSKYPSIKGINFDLPHVIEDAPQYPGVQHVGGDMFVSVPKGNAI
FMKWICHDWSDEHCIKFLKNCYAALPDDGKVILAECILPVAPDTSLATKG
VVHMDVIMLAHNPGGKERTEQEFEALAKGSGFQGIRVCCDAFNTYVIEFL
KKI
Ligand information
Ligand ID
SAH
InChI
InChI=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
InChIKey
ZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
Software
SMILES
CACTVS 3.341
N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04
O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
Formula
C14 H20 N6 O5 S
Name
S-ADENOSYL-L-HOMOCYSTEINE
ChEMBL
CHEMBL418052
DrugBank
DB01752
ZINC
ZINC000004228232
PDB chain
6yjw Chain B Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
6yjw
Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
F163 M180 S184 G208 D231 L232 M252 K265 I267
Binding residue
(residue number reindexed from 1)
F151 M168 S172 G196 D219 L220 M240 K253 I255
Annotation score
5
Enzymatic activity
Enzyme Commision number
2.1.1.68
: caffeate O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168
methyltransferase activity
GO:0008171
O-methyltransferase activity
GO:0008757
S-adenosylmethionine-dependent methyltransferase activity
GO:0046983
protein dimerization activity
Biological Process
GO:0009809
lignin biosynthetic process
GO:0032259
methylation
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:6yjw
,
PDBe:6yjw
,
PDBj:6yjw
PDBsum
6yjw
PubMed
32627748
UniProt
Q9M602
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