Structure of PDB 8cod Chain B Binding Site BS02

Receptor Information
>8cod Chain B (length=429) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLPYKVADIGLAAWGRKALDIAENEMPGLMRMREMYSASKPLKGARIAGC
LHMTVETAVLIETLVALGAEVRWSSCNIFSTQDHAAAAIAKAGIPVFAWK
GETDEEYLWCIEQTLHFKDGPLNMILDDGGDLTNLIHTKYPQLLSGIRGI
SEETTTGVHNLYKMMSNGILKVPAINVNDSVTKSKFDNLYGCRESLIDGI
KRATDVMIAGKVAVVAGYGDVGKGCAQALRGFGARVIITEIDPINALQAA
MEGYEVTTMDEACKEGNIFVTTTGCVDIILGRHFEQMKDDAIVCNIGHFD
VEIDVKWLNENAVEKVNIKPQVDRYWLKNGRRIILLAEGRLVNLGCAMGH
PSFVMSNSFTNQVMAQIELWTHPDKYPVGVHFLPKKLDEAVAEAHLGKLN
VKLTKLTEKQAQYLGMPINGPFKPDHYRY
Ligand information
Ligand IDNOS
InChIInChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
InChIKeyUGQMRVRMYYASKQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23
CACTVS 3.385OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC=Nc23
OpenEye OEToolkits 2.0.6c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNC2=O
OpenEye OEToolkits 2.0.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O
FormulaC10 H12 N4 O5
NameINOSINE
ChEMBLCHEMBL1556
DrugBankDB04335
ZINCZINC000008855117
PDB chain8cod Chain B Residue 602 [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]
PDB8cod Crystal structure of S-adenosyl-L-homocysteine hydrolase from Mus musculus in complex with inosine
Resolution2.48 Å
Binding residue
(original residue number in PDB)		H55 T57 D131 E156 T157 K186 D190 H301 L347 G352 H353 M358
Binding residue
(residue number reindexed from 1)		H52 T54 D128 E153 T154 K183 D187 H298 L344 G349 H350 M355
Annotation score3
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:8cod, PDBe:8cod, PDBj:8cod
PDBsum8cod
PubMed38548921
UniProtP50247|SAHH_MOUSE Adenosylhomocysteinase (Gene Name=Ahcy)

[Back to BioLiP]