Structure of PDB 3onf Chain A Binding Site BS02

Receptor Information
>3onf Chain A (length=485) Species: 3873 (Lupinus luteus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MALLVEKTTSGREYKVKDMSQADFGRLEIELAEVEMPGLMASRSEFGPSQ
PFKGAKITGSLHMTIQTAVLIETLTALGAEVRWCSCNIFSTQDHAAAAIA
RDSAAVFAWKGETLQEYWWCTERALDWGPGGGPDLIVDDGGDTTLLIHEG
VKAEEIYEKSGQFPDPDSTDNAEFKIVLSIIKEGLKTDPKRYHKMKDRVV
GVSEETTTGVKRLYQMQANGTLLFPAINVNDSVTKSKFDNLYGCRHSLPD
GLMRATDVMIAGKVAVVAGYGDVGKGCAAALKQAGARVIVTEIDPICALQ
ATMEGLQVLTLEDVVSEADIFVTTTGNKDIIMLDHMKKMKNNAIVCNIGH
FDNEIDMLGLETHPGVKRITIKPQTDRWVFPETNTGIIILAEGRLMNLGC
ATGHPSFVMSCSFTNQVIAQLELWNEKSSGKYEKKVYVLPKHLDEKVAAL
HLEKLGAKLTKLSKDQADYISVPVEGPYKPFHYRY
Ligand information
Ligand ID3AD
InChIInChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
InChIKeyOFEZSBMBBKLLBJ-BAJZRUMYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(CC(O3)CO)O)N
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(CC3O)CO)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)C[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)C[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N
FormulaC10 H13 N5 O3
Name3'-DEOXYADENOSINE
ChEMBLCHEMBL305686
DrugBankDB12156
ZINCZINC000001319796
PDB chain3onf Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3onf High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Resolution2.0 Å
Binding residue
(original residue number in PDB)		L61 H62 T64 D139 E205 D239 L395 L398 H404 M409
Binding residue
(residue number reindexed from 1)		L61 H62 T64 D139 E205 D239 L395 L398 H404 M409
Annotation score3
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) H62 S85 S90 D139 E205 N230 K235 D239 N240 C244 H350 H404 S412 Q416
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:3onf, PDBe:3onf, PDBj:3onf
PDBsum3onf
PubMed22349223
UniProtQ9SP37|SAHH_LUPLU Adenosylhomocysteinase (Gene Name=SAHH)

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