Structure of PDB 5axc Chain C Binding Site BS02

Receptor Information
>5axc 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 IDARJ
InChIInChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,9,17,19H,1-2H2,(H2,12,13,14)/t5-,6-,9+/m1/s1
InChIKeyCWNCBQJCRSRXGI-KCRUCZTKSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3C[C@H](CO)C(=O)[C@H]3O
ACDLabs 10.04O=C3C(O)C(n1c2ncnc(c2nc1)N)CC3CO
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3CC(C(=O)C3O)CO)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3C[CH](CO)C(=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N
FormulaC11 H13 N5 O3
Name(2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone;
3'-keto-aristeromycin
ChEMBL
DrugBank
ZINCZINC000005941131
PDB chain5axc Chain C Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5axc Crystal structure of mouse SAHH complexed with 3'-keto aristeromycin
Resolution1.55 Å
Binding residue
(original residue number in PDB)		L54 H55 T57 E59 D131 E156 T157 D190 H301 H353 M358
Binding residue
(residue number reindexed from 1)		L52 H53 T55 E57 D129 E154 T155 D188 H299 H351 M356
Annotation score2
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5axc, PDBe:5axc, PDBj:5axc
PDBsum5axc
PubMed
UniProtP50247|SAHH_MOUSE Adenosylhomocysteinase (Gene Name=Ahcy)

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