Structure of PDB 3one Chain A Binding Site BS03

Receptor Information
>3one Chain A (length=487) Species: 3873 (Lupinus luteus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMALLVEKTTSGREYKVKDMSQADFGRLEIELAEVEMPGLMASRSEFGP
SQPFKGAKITGSLHMTIQTAVLIETLTALGAEVRWCSCNIFSTQDHAAAA
IARDSAAVFAWKGETLQEYWWCTERALDWGPGGGPDLIVDDGGDTTLLIH
EGVKAEEIYEKSGQFPDPDSTDNAEFKIVLSIIKEGLKTDPKRYHKMKDR
VVGVSEETTTGVKRLYQMQANGTLLFPAINVNDSVTKSKFDNLYGCRHSL
PDGLMRATDVMIAGKVAVVAGYGDVGKGCAAALKQAGARVIVTEIDPICA
LQATMEGLQVLTLEDVVSEADIFVTTTGNKDIIMLDHMKKMKNNAIVCNI
GHFDNEIDMLGLETHPGVKRITIKPQTDRWVFPETNTGIIILAEGRLMNL
GCATGHPSFVMSCSFTNQVIAQLELWNEKSSGKYEKKVYVLPKHLDEKVA
ALHLEKLGAKLTKLSKDQADYISVPVEGPYKPFHYRY
Ligand information
Ligand IDNA
InChIInChI=1S/Na/q+1
InChIKeyFKNQFGJONOIPTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Na+]
FormulaNa
NameSODIUM ION
ChEMBL
DrugBankDB14516
ZINC
PDB chain3one Chain A Residue 509 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3one High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Resolution1.35 Å
Binding residue
(original residue number in PDB)		Q66 T402 G403 H404 P405
Binding residue
(residue number reindexed from 1)		Q68 T404 G405 H406 P407
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H62 S85 S90 D139 E205 N230 K235 D239 N240 C244 H350 H404 S412 Q416
Catalytic site (residue number reindexed from 1) H64 S87 S92 D141 E207 N232 K237 D241 N242 C246 H352 H406 S414 Q418
Enzyme Commision number 3.13.2.1: adenosylhomocysteinase.
Gene Ontology
Molecular Function
GO:0004013 adenosylhomocysteinase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006730 one-carbon metabolic process
GO:0033353 S-adenosylmethionine cycle
Cellular Component
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:3one, PDBe:3one, PDBj:3one
PDBsum3one
PubMed22349223
UniProtQ9SP37|SAHH_LUPLU Adenosylhomocysteinase (Gene Name=SAHH)

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