Structure of PDB 5axb Chain C Binding Site BS02

Receptor Information
>5axb Chain C (length=430) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKLPYKVADIGLAAWGRKALDIAENEMPGLMRMREMYSASKPLKGARIAG
CLHMTVETAVLIETLVALGAEVRWSSCNIFSTQDHAAAAIAKAGIPVFAW
KGETDEEYLWCIEQTLHFKDGPLNMILDDGGDLTNLIHTKYPQLLSGIRG
ISEETTTGVHNLYKMMSNGILKVPAINVNDSVTKSKFDNLYGCRESLIDG
IKRATDVMIAGKVAVVAGYGDVGKGCAQALRGFGARVIITEIDPINALQA
AMEGYEVTTMDEACKEGNIFVTTTGCVDIILGRHFEQMKDDAIVCNIGHF
DVEIDVKWLNENAVEKVNIKPQVDRYWLKNGRRIILLAEGRLVNLGCAMG
HPSFVMSNSFTNQVMAQIELWTHPDKYPVGVHFLPKKLDEAVAEAHLGKL
NVKLTKLTEKQAQYLGMPINGPFKPDHYRY
Ligand information
Ligand IDNRN
InChIInChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1
InChIKeyVFKHECGAEJNAMV-HETMPLHPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O)[CH]3O
CACTVS 3.385Nc1ncnc2n(cnc12)[C@@H]3C[C@H](O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.9.2c1nc(c2c(n1)n(cn2)C3CC(C(C3O)O)O)N
FormulaC10 H13 N5 O3
Name(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol;
noraristeromycin
ChEMBLCHEMBL129014
DrugBank
ZINC
PDB chain5axb Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5axb Crystal structure of mouse SAHH complexed with noraristeromycin
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H55 T57 E156 T157 K186 D190 L347 H353 M358
Binding residue
(residue number reindexed from 1)		H53 T55 E154 T155 K184 D188 L345 H351 M356
Annotation score2
Binding affinityBindingDB: Ki=11.1nM
Enzymatic activity
Enzyme Commision number 3.13.2.1: adenosylhomocysteinase.
Gene Ontology
Molecular Function
GO:0004013 adenosylhomocysteinase activity
GO:0005507 copper ion binding
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
GO:0051287 NAD binding
Biological Process
GO:0006730 one-carbon metabolic process
GO:0019510 S-adenosylhomocysteine catabolic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005829 cytosol
GO:0042470 melanosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5axb, PDBe:5axb, PDBj:5axb
PDBsum5axb
PubMed
UniProtP50247|SAHH_MOUSE Adenosylhomocysteinase (Gene Name=Ahcy)

[Back to BioLiP]