Structure of PDB 4uci Chain A Binding Site BS02

Receptor Information
>4uci Chain A (length=361) Species: 162145 (human metapneumovirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPTEQLAYFPKITFERLKNGKLTRNYMILLPWQHVNRYNFVFSSTGCKVS
LKTCIGKLMKDLNPKVLYFIGEGAGNWMARTACEYPDIKFVYRSLKDDLD
HHYPLEYQRVIGELSRIIDSGEGLSMETTDATQKTHWDLIHRVSKDALLI
TLCDAEFKDRDDFFKMVILWRKHVLSCRICTTYGTDLYLFAKYHAKDCNV
KLPFFVRSVATFIMQGSKLSGSECYILLTLGHHNNLPCHGEIQNSKMKIA
VCNDFYAAKKLDNKSIEANCKSLLSGLRIPINKKELNRQRRLLTKWLTNK
ANTIIDWLEHILNSPKGELNYDFFEALENTYPNMIKLIDNLGNAEIKKLI
KVTGYMLVSKK
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain4uci Chain A Residue 2409 [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)		S1668 T1670 G1696 E1697 A1699 G1700 N1701 L1720 D1725 D1755 A1756 D1779 A1780 E1781 F1782
Binding residue
(residue number reindexed from 1)		S43 T45 G71 E72 A74 G75 N76 L95 D100 D130 A131 D154 A155 E156 F157
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