Structure of PDB 1v8b Chain D Binding Site BS03

Receptor Information
>1v8b Chain D (length=476) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKSKVKDISLAPFGKMQMEISENEMPGLMRIREEYGKDQPLKNAKITGCL
HMTVECALLIETLQKLGAQIRWCSCNIYSTADYAAAAVSTLENVTVFAWK
NETLEEYWWCVESALTWGDGDDNGPDMIVDDGGDATLLVHKGVEYEKLYE
EKNILPDPEKAKNEEERCFLTLLKNSILKNPKKWTNIAKKIIGVSEETTT
GVLRLKKMDKQNELLFTAINVNDAVTKQKYDNVYGCRHSLPDGLMRATDF
LISGKIVVICGYGDVGKGCASSMKGLGARVYITEIDPICAIQAVMEGFNV
VTLDEIVDKGDFFITCTGNVDVIKLEHLLKMKNNAVVGNIGHFDDEIQVN
ELFNYKGIHIENVKPQVDRITLPNGNKIIVLARGRLLNLGCATGHPAFVM
SFSFCNQTFAQLDLWQNKDTNKYENKVYLLPKHLDEKVALYHLKKLNASL
TELDDNQCQFLGVNKSGPFKSNEYRY
Ligand information
Ligand IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain1v8b Chain D Residue 3502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1v8b Crystal Structure of S-Adenosyl-l-Homocysteine Hydrolase from the Human Malaria Parasite Plasmodium falciparum
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H54 T56 E58 D134 E200 T201 D234 G397 H398 M403
Binding residue
(residue number reindexed from 1)		H51 T53 E55 D131 E197 T198 D231 G394 H395 M400
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H54 S77 S82 D134 E200 N225 K230 D234 N235 C239 H345 H398 S406 Q410
Catalytic site (residue number reindexed from 1) H51 S74 S79 D131 E197 N222 K227 D231 N232 C236 H342 H395 S403 Q407
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:1v8b, PDBe:1v8b, PDBj:1v8b
PDBsum1v8b
PubMed15476817
UniProtP50250|SAHH_PLAF7 Adenosylhomocysteinase (Gene Name=PFE1050w)

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