Structure of PDB 4uci Chain B Binding Site BS04

Receptor Information
>4uci Chain B (length=370) Species: 162145 (human metapneumovirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VIDPTEQLAYFPKITFERLKNSNYAKGKLTRNYMILLPWQHVNRYNFVFS
STGCKVSLKTCIGKLMKDLNPKVLYFIGEGAGNWMARTACEYPDIKFVYR
SLKDDLDHHYPLEYQRVIGELSRIIDSGEGLSMETTDATQKTHWDLIHRV
SKDALLITLCDAEFKDRDDFFKMVILWRKHVLSCRICTTYGTDLYLFAKY
HAKDCNVKLPFFVRSVATFIMQGSKLSGSECYILLTLGHHNNLPCHGEIQ
NSKMKIAVCNDFYAAKKLDNKSIEANCKSLLSGLRIPINKKELNRQRRLL
TLSKWLTNKANTIIDWLEHILNSPKGELNYDFFEALENTYPNMIKLIDNL
GNAEIKKLIKVTGYMLVSKK
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 chain4uci Chain B Residue 2415 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4uci X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Resolution2.21 Å
Binding residue
(original residue number in PDB)		F1782 K1783 R1785 Y1818 H1819
Binding residue
(residue number reindexed from 1)		F164 K165 R167 Y200 H201
Annotation score2
Enzymatic activity
Enzyme Commision number 2.1.1.375: NNS virus cap methyltransferase.
2.7.7.48: RNA-directed RNA polymerase.
2.7.7.88: GDP polyribonucleotidyltransferase.
External links