Structure of PDB 4ud0 Chain B Binding Site BS02

Receptor Information
>4ud0 Chain B (length=350) Species: 162145 (human metapneumovirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDPTEQLAYFPKITFERLTRNYMILLPWQHVNRYNFVFSSTGCKVSLKTC
IGKLMKDLNPKVLYFIGEGAGNWMARTACEYPDIKFVYRSLKDDLDHHYP
LEYQRVIGELSRIIDSGEGLSMETTDATQKTHWDLIHRVSKDALLITLCD
AEFKDRDDFFKMVILWRKHVLSCRICTTYGTDLYLFAKYHAKDCNVKLPF
FVRSVATFIMQGSKLSGSECYILLTLGHHNNLPCHGEIQNSKMKIAVAND
FYAAKKLDNKSIEANCKSLLSGLRIPINKKEESKWLTNKANTIIDWLEHI
LNSPKGELNYDFFEALENTYPNMIKLIDNLGNAEIKKLIKVTGYMLVSKK
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 chain4ud0 Chain B Residue 2410 [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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PDB4ud0 X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		S1668 T1670 G1696 E1697 G1698 G1700 N1701 W1702 L1720 D1725 D1755 A1756 D1779 A1780 E1781 F1782
Binding residue
(residue number reindexed from 1)		S39 T41 G67 E68 G69 G71 N72 W73 L91 D96 D126 A127 D150 A151 E152 F153
Annotation score5
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