Structure of PDB 6yal Chain k Binding Site BS04
Receptor Information
>6yal Chain k (length=595) Species:
9986
(Oryctolagus cuniculus) [
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KLTRIAIVNHDKCKPKKCRQECKKSCPVVRMGKLCIEVTPQSKIAWISET
LCIGCGICIKKCPFGALSIVNLPSNLEKETTHRYCANAFKLHRLPIPRPG
EVLGLVGTNGIGKSTALKILAGKQKPNLGKYDDPPDWQEILTYFRGSELQ
NYFTKILEDDLKAIIKPQYVDQIPKAAKGTVGSILDRKDETKTQAIVCQQ
LDLTHLKERNVEDLSGGELQRFACAVVCIQKADIFMFDEPSSYLDVKQRL
KAAITIRSLINPDRYIIVVEHDLSVLDYLSDFICCLYGVPSAYGVVTMPF
SVREGINIFLDGYVPTENLRFRDASLVFKVAETANEEEVKKMCMYKYPGM
KKKMGEFELAIVAGEFTDSEIMVMLGENGTGKTTFIRMLAGRLKPDEGGE
VPVLNVSYKPQKISPKSTGSVRQLLHEKIRDAYTHPQFVTDVMKPLQIEN
IIDQEVQTLSGGELQRVALALCLGKPADVYLIDEPSAYLDSEQRLMAARV
VKRFILHAKKTAFVVEHDFIMATYLADRVIVFDGIPSKNTVANSPQTLLA
GMNKFLSQLEITFRRDPNNYRPRINKLNSIKDVEQKKSGNYFFLD
Ligand information
Ligand ID
GNP
InChI
InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKey
UQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
Formula
C10 H17 N6 O13 P3
Name
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBL
CHEMBL1233085
DrugBank
DB02082
ZINC
ZINC000037868676
PDB chain
6yal Chain k Residue 704 [
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Receptor-Ligand Complex Structure
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PDB
6yal
Structural Insights into the Mammalian Late-Stage Initiation Complexes.
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
N112 G113 I114 G115 S117 S294
Binding residue
(residue number reindexed from 1)
N109 G110 I111 G112 S114 S291
Annotation score
2
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005506
iron ion binding
GO:0005524
ATP binding
GO:0016887
ATP hydrolysis activity
GO:0043024
ribosomal small subunit binding
Biological Process
GO:0000054
ribosomal subunit export from nucleus
GO:0006413
translational initiation
GO:0006415
translational termination
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:6yal
,
PDBe:6yal
,
PDBj:6yal
PDBsum
6yal
PubMed
UniProt
G1SG72
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