Structure of PDB 8qzz Chain A Binding Site BS02

Receptor Information
>8qzz Chain A (length=433) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGQPHLSRQDLTTLDVTKLTPLSHEVISRQATINIGTIGHVAHGKSTVVK
AISGVHTKLGYANAKIYKLDDPSCPRPECYRSCGSSTPDEFPTDIPGTKG
NFKLVRHVSFVDCPLMATMLNGAAVMDAALLLIAGNESCPQPQTSEHLAA
IEIMKLKHILILQNKIDLVKESQAKEQYEQILAFVQGTVAEGAPIIPISA
QLKYNIEVVCEYIVKKIPVPPRDFTSEPRLIVIRSFDVNKPGCEVDDLKG
GVAGGSILKGVLKVGQEIEVRPGIVSKDSEGKLMCKPIFSKIVSLFAEHN
DLQYAAPGGLIGVGTKIDPTLCRADRMVGQVLGAVGALPEIFTELEISYF
LLRRLLGQKLSKNEVLMVNIGSLSTGGRVSAVKADLGKIVLTNPVCTEVG
EKIALSRRVEKHWRLIGWGQIRRGVTIKPTVDD
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 chain8qzz Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qzz Substrate recruitment via eIF2g enhances catalytic efficiency of a holophosphatase that terminates the Integrated Stress Response
Resolution3.35 Å
Binding residue
(original residue number in PDB)		A51 G53 K54 S55 T56 N190 K191 D193 Q227
Binding residue
(residue number reindexed from 1)		A42 G44 K45 S46 T47 N164 K165 D167 Q201
Annotation score3
Enzymatic activity
Enzyme Commision number 3.6.5.3: protein-synthesizing GTPase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0003743 translation initiation factor activity
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0008135 translation factor activity, RNA binding
GO:0016787 hydrolase activity
GO:0045296 cadherin binding
GO:1990856 methionyl-initiator methionine tRNA binding
Biological Process
GO:0001731 formation of translation preinitiation complex
GO:0002183 cytoplasmic translational initiation
GO:0006412 translation
GO:0006413 translational initiation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005850 eukaryotic translation initiation factor 2 complex
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8qzz, PDBe:8qzz, PDBj:8qzz
PDBsum8qzz
PubMed38547060
UniProtP41091|IF2G_HUMAN Eukaryotic translation initiation factor 2 subunit 3 (Gene Name=EIF2S3)

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