Structure of PDB 3ngn Chain A Binding Site BS01

Receptor Information
>3ngn Chain A (length=324) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPPRPWITLKERDSASFTVMCYNVLCDKYATRQLYGYCPSWALNWEYRKK
GIMEEIVNCDADIISLQEVETEQYFTLFLPALKERGYDGFFSPKSRAKIM
SEQERKHVDGCAIFFKTEKFTLVQKHTVEFNQVAMANSDGSEAMLNRVMT
KDNIGVAVVLEVHKELFKQLLIVANAHMHWDPEYSDVKLIQTMMFVSEVK
NILEKASIPLVLCADLNSLPDSGVVEYLSNGGVADNHKDFKERITHGFQL
KSAYENNLMPYTNYTFDFKGVIDYIFYSKTHMNVLGVLGPLDPQWLVENN
ITGCPHPHIPSDHFSLLTQLELHP
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain3ngn Chain A Residue 556 [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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PDB3ngn Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H360 W363 P365 K371 D410 N412 N479 F484 H529
Binding residue
(residue number reindexed from 1)		H177 W180 P182 K188 D215 N217 N263 F268 H313
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.13.4: poly(A)-specific ribonuclease.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004535 poly(A)-specific ribonuclease activity

View graph for
Molecular Function
External links
PDB RCSB:3ngn, PDBe:3ngn, PDBj:3ngn
PDBsum3ngn
PubMed20628353
UniProtQ96LI5|CNO6L_HUMAN CCR4-NOT transcription complex subunit 6-like (Gene Name=CNOT6L)

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