Structure of PDB 4bwp Chain B Binding Site BS01

Receptor Information
>4bwp Chain B (length=372) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLEVENYHALYPLEPPAQPLHAKLTFPATTYRATHNTTGYKYCLRRIHGF
RLQSTKCMTLVEMWKKLQHTNVVQLREVFTTKAFGDNSLVLVYDYHPGSQ
TLLAKYFTPTSNGPLLPEATIWSIIMQLTAGLKAIHHAGLACKVLDPTKI
IVTGKRVRFSSCCISDITQFDPNASNPLALVNMHQQDDLTALGRLVLALA
CRCLQSVQRDNVQSSIDMVTRNYSTDLRNFIVYLFTTNNRRSVTDLMPMI
GARFYTQLDALQSKIDMQEDELAKEMENGRLYRILVKLNSINERPGDRYM
LKLFRDYLFHSVTEDGRPWLDHAHIVQCLNKLDAGSIERVQLMSRDEQSV
LIVSYAELKNCLENAFSELMSS
Ligand information
Ligand IDAN2
InChIInChI=1S/C10H16N6O9P2/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(24-10)1-23-27(21,22)25-26(12,19)20/h2-4,6-7,10,17-18H,1H2,(H,21,22)(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyFQMDCEJHLOLKLI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(N)O)O)O)N
ACDLabs 10.04O=P(O)(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](N)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(N)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](N)(O)=O)[CH](O)[CH]3O
FormulaC10 H16 N6 O9 P2
NameAMP PHOSPHORAMIDATE
ChEMBLCHEMBL574810
DrugBank
ZINC
PDB chain4bwp Chain B Residue 1788 [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]
PDB4bwp Structure of the Pan3 Pseudokinase Reveals the Basis for Interactions with the Pan2 Deadenylase and the Gw182 Proteins
Resolution3.6 Å
Binding residue
(original residue number in PDB)		A395 Q396 T408 C421 R423 Y473 H474 S477 T479
Binding residue
(residue number reindexed from 1)		A17 Q18 T30 C43 R45 Y95 H96 S99 T101
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000289 nuclear-transcribed mRNA poly(A) tail shortening
GO:0006397 mRNA processing
Cellular Component
GO:0031251 PAN complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4bwp, PDBe:4bwp, PDBj:4bwp
PDBsum4bwp
PubMed23932717
UniProtQ95RR8|PAN3_DROME PAN2-PAN3 deadenylation complex subunit PAN3 (Gene Name=PAN3)

[Back to BioLiP]