Structure of PDB 4v9k Chain AY Binding Site BS03
Receptor Information
>4v9k Chain AY (length=687) Species:
262724
(Thermus thermophilus HB27) [
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KVEYDLKRLRNIGIAAHIDAGKTTTTERILYYTGRIHKIGEVHEGAATMD
FMEQERERGITITAAVTTCFWKDHRINIIDTPGHVDFTIEVERSMRVLDG
AIVVFDSSQGVEPQSETVWRQAEKYKVPRIAFANKMDKTGADLWLVIRTM
QERLGARPVVMQLPIGREDTFSGIIDVLRMKAYTYGNDLGTDIREIPIPE
EYLDQAREYHEKLVEVAADFDENIMLKYLEGEEPTEEELVAAIRKGTIDL
KITPVFLGSALKNKGVQLLLDAVVDYLPSPLDIPPIKGTTPEGEVVEIHP
DPNGPLAALAFKIMADPYVGRLTFIRVYSGTLTSGSYVYNTTKGRKERVA
RLLRMHANHREEVEELKAGDLGAVVGLKETITGDTLVGEDAPRVILESIE
VPEPVIDVAIEPKTKADQEKLSQALARLAEEDPTFRVSTHPETGQTIISG
MGELHLEIIVDRLKREFKVDANVGKPQVAYRETITKPVDVEGKFIRQTGG
RGQYGHVKIKVEPLPRGSGFEFVNAIVGGVIPKEYIPAVQKGIEEAMQSG
PLIGFPVVDIKVTLYDGSYHEVDSSEMAFKIAGSMAIKEAVQKGDPVILE
PIMRVEVTTPEEYMGDVIGDLNARRGQILGMEPRGNAQVIRAFVPLAEMF
GYATDLRSKTQGRGSFVMFFDHYQEVPKQVQEKLIKG
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
4v9k Chain AY Residue 701 [
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Receptor-Ligand Complex Structure
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PDB
4v9k
Crystal structures of EF-G-ribosome complexes trapped in intermediate states of translocation.
Resolution
3.5 Å
Binding residue
(original residue number in PDB)
D22 G24 K25 T26 T27 I63 T64 N137 K138
Binding residue
(residue number reindexed from 1)
D19 G21 K22 T23 T24 I60 T61 N134 K135
Annotation score
3
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0003746
translation elongation factor activity
GO:0003924
GTPase activity
GO:0005525
GTP binding
Biological Process
GO:0006412
translation
GO:0006414
translational elongation
GO:0032790
ribosome disassembly
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:4v9k
,
PDBe:4v9k
,
PDBj:4v9k
PDBsum
4v9k
PubMed
23812722
UniProt
Q5SHN5
|EFG_THET8 Elongation factor G (Gene Name=fusA)
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