Structure of PDB 6q2q Chain B Binding Site BS02

Receptor Information
>6q2q Chain B (length=290) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTTPVSVNYHFTRQCNYKCGFCFHTAKTSFVLPLEEAKRGLLLLKQAGLE
KINFSGGEPFLQDRGEYLGKLVRFCKEELALPSVSIVSNGSLIRERWFKD
YGEYLDILAISCDSFDEQVNALIGRGQNHVENLQKLRRWCRDYKVAFKIN
SVINRFNVDEDMNEHIKALSPVRWKVFQCLLIEGENSGADALRAAERFLI
SNEEFETFLERHKEVSCLVPESNQKMKDSYLILDEYMRFLNCTGGRKDPS
KSILDVGVEEAIKFSGFDEKMFLKRGGKYVWSKADLKLDW
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 chain6q2q Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6q2q Structural Basis of the Substrate Selectivity of Viperin.
Resolution1.892 Å
Binding residue
(original residue number in PDB)		F90 F92 S124 G125 G126 V156 S157 S180 R194 N222 V224 L252 M298
Binding residue
(residue number reindexed from 1)		F21 F23 S55 G56 G57 V87 S88 S111 R125 N150 V152 L180 M226
Annotation score3
Enzymatic activity
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:6q2q, PDBe:6q2q, PDBj:6q2q
PDBsum6q2q
PubMed31917549
UniProtQ8CBB9|RSAD2_MOUSE S-adenosylmethionine-dependent nucleotide dehydratase RSAD2 (Gene Name=Rsad2)

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