Structure of PDB 3jce Chain x Binding Site BS04

Receptor Information
>3jce Chain x (length=586) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNFSIIAHIDHGKSTLSDRIIQICAQVLDSMDLERERGITIKAQSVTLDY
KASDGETYQLNFIDTPGHVDFSYEVSRSLAACEGALLVVDAGQGVEAQTL
ANCYTAMEMDLEVVPVLNKIDLPAADPERVAEEIEDIVGIDATDAVRCSA
KTGVGVQDVLERLVRDIPPPEGDPEGPLQALIIDSWFDNYLGVVSLIRIK
NGTLRKGDKVKVMSTGQTYNADRLGIFTPKQVDRTELKCGEVGWLVCAIK
DIHGAPVGDTLTLARNPAEKALPGFKKVKPQVYAGLFPVSSDDYEAFRDA
LGKLSLNDASLFYEPESSSALGFGFRCGFLGLLHMEIIQERLEREYDLDL
ITTAPTVVYEVETTSREVIYVDSPSKLPAVNNIYELREPIAECHMLLPQA
YLGNVITLCVEKRGVQTNMVYHGNQVALTYEIPMAEVVLDFFDRLKSTSR
GYASLDYNFKRFQASDMVRVDVLINGERVDALALITHRDNSQNRGRELVE
KMKDLIPRQQFDIAIQAAIGTHIIARSTVKQLRKNVLAKCYGGDISRKKK
LLQKQKEGKKRMKQIGNVELPQEAFLAILHVGKDNK
Ligand information
Ligand IDGNP
InChIInChI=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
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(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 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=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 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain3jce Chain x Residue 701 [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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PDB3jce EF4 disengages the peptidyl-tRNA CCA end and facilitates back-translocation on the 70S ribosome
Resolution3.2 Å
Binding residue
(original residue number in PDB)		D14 H15 G16 K17 S18 T19 I52 T53 K132
Binding residue
(residue number reindexed from 1)		D10 H11 G12 K13 S14 T15 I39 T40 K119
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) K17 S18 T53 H81
Catalytic site (residue number reindexed from 1) K13 S14 T40 H68
Enzyme Commision number 3.6.5.n1: elongation factor 4.
Gene Ontology
Molecular Function
GO:0003746 translation elongation factor activity
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
GO:0043022 ribosome binding
GO:0043023 ribosomal large subunit binding
GO:0043024 ribosomal small subunit binding
GO:0097216 guanosine tetraphosphate binding
Biological Process
GO:0006412 translation
GO:0006414 translational elongation
GO:0009268 response to pH
GO:0009409 response to cold
GO:0009651 response to salt stress
GO:0042274 ribosomal small subunit biogenesis
GO:0045727 positive regulation of translation
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3jce, PDBe:3jce, PDBj:3jce
PDBsum3jce
PubMed26809121
UniProtP60785|LEPA_ECOLI Elongation factor 4 (Gene Name=lepA)

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