Structure of PDB 3jcj Chain f Binding Site BS04

Receptor Information
>3jcj Chain f (length=509) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTGAAAEPRAPVVTIMGHVDHGKTSLLDYIRSTKVASGEAGGITQHIGAY
HVETENGMITFLDTPGHAAFTSMRARGAQATDIVVLVVAADDGVMPQTIE
AIQHAKAAQVPVVVAVNKIDKPEADPDRVKNELSQYGILPEEWGGESQFV
HVSAKAGTGIDELLDAILLQAEVLELKAVRKGMASGAVIESFLDKGRGPV
ATVLVREGTLHKGDIVLCGFEYGRVRAMRNELGQEVLEAGPSIPVEILGL
SGVPAAGDEVTVVRDEKKAREVALYRQGKFREVKLARQQKSKLENMFANM
TEGEVHEVNIVLKADVQGSVEAISDSLLKLSTDEVKVKIIGSGVGGITET
DATLAAASNAILVGFNVRADASARKVIEAESLDLRYYSVIYNLIDEVKAA
MSGMLSPELKQQIIGLAEVRDVFKSPKFGAIAGCMVTEGVVKRHNPIRVL
RDNVVIYEGELESLRRFKDDVNEVRNGMECGIGVKNYNDVRTGDVIEVFE
IIEIQRTIA
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 chain3jcj Chain f Residue 901 [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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PDB3jcj Structures of ribosome-bound initiation factor 2 reveal the mechanism of subunit association.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		V400 D401 G403 K404 T405 S406 P446 G447 K499 S534 A535 K536
Binding residue
(residue number reindexed from 1)		V19 D20 G22 K23 T24 S25 P65 G66 K118 S153 A154 K155
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003743 translation initiation factor activity
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0043024 ribosomal small subunit binding
GO:0097216 guanosine tetraphosphate binding
Biological Process
GO:0006412 translation
GO:0006413 translational initiation
GO:0009409 response to cold
GO:0061077 chaperone-mediated protein folding
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:3jcj, PDBe:3jcj, PDBj:3jcj
PDBsum3jcj
PubMed26973877
UniProtP0A705|IF2_ECOLI Translation initiation factor IF-2 (Gene Name=infB)

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