Structure of PDB 5vsl Chain A Binding Site BS02

Receptor Information
>5vsl Chain A (length=262) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPVSVNYHFTRQCNYKCGFCFHTAKTSFVLPLEEAKRGLLLLKQAGLEKI
NFSGGEPFLQDRGEYLGKLVRFCKEELALPSVSIVSNGSLIRERWFKDYG
EYLDILAISCDSFDEQVNALIGRGQGKKNHVENLQKLRRWCRDYKVAFKI
NSVINRFNVDEDMNEHIKALSPVRWKVFQCLLIEGENSGEDALREAERFL
ISNEEFETFLERHKEVSCLVPESNQKMKDSYLILDEYMRFLNCTDPSKSI
LDVGVEEAIKFS
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain5vsl Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vsl Structural studies of viperin, an antiviral radical SAM enzyme.
Resolution1.972 Å
Binding residue
(original residue number in PDB)		F90 F92 S124 G125 G126 E127 V156 S157 N158 S180 R194 N222 V224 C251 L252
Binding residue
(residue number reindexed from 1)		F19 F21 S53 G54 G55 E56 V85 S86 N87 S109 R123 N151 V153 C180 L181
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) C84 C88 C91
Catalytic site (residue number reindexed from 1) C13 C17 C20
Enzyme Commision number 4.2.-.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0051536 iron-sulfur cluster binding
Biological Process
GO:0051607 defense response to virus
Cellular Component
GO:0005789 endoplasmic reticulum membrane
GO:0005811 lipid droplet

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5vsl, PDBe:5vsl, PDBj:5vsl
PDBsum5vsl
PubMed28607080
UniProtQ8CBB9|RSAD2_MOUSE S-adenosylmethionine-dependent nucleotide dehydratase RSAD2 (Gene Name=Rsad2)

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