Structure of PDB 4znl Chain A Binding Site BS02

Receptor Information
>4znl Chain A (length=253) Species: 466052 (Oshimavirus P7426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRLRPSDKFFELLGYKPHHVQLAIHRSTAKRRVACLGRQSGKSEAASVEA
VFELFARPGSQGWIIAPTYDQAEIIFGRVVEKVERLAEVFPATEVQLQRR
RLRLLVHHYDRPVNAPGAKRVATSEFRGKSADRPDNLRGATLDFVILDEA
AMIPFSVWSEAIEPTLSVRDGWALIISTPKGLNWFYEFFLMGWRGGLKEG
IPNSGINQTHPDFESFHAASWDVWPERREWYMERRLYIPDLEFRQEYGAE
FVS
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain4znl Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4znl Structure and mechanism of the ATPase that powers viral genome packaging.
Resolution2.068 Å
Binding residue
(original residue number in PDB)		K17 H19 Q22 Q40 S41 G42 K43 S44 E45 R79 W225
Binding residue
(residue number reindexed from 1)		K16 H18 Q21 Q39 S40 G41 K42 S43 E44 R78 W224
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.21.-
3.6.4.-
External links