Structure of PDB 7ase Chain 5 Binding Site BS03

Receptor Information
>7ase Chain 5 (length=421) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QATVNIGTIGHVAHGKSTVVKALSGVKTQKYHREAVMNITIHLGYANAKV
FKCDKCELPAAFHAFPSSQPDKTDCPTCGSPLTLKRHFSFVDCPGHDVLM
ATMLNGAAIMDAALLLIAANEPFPQPQTLEHLKAVEIMRLANLVILQNKI
DLVGEVHAQDQYHKIRNYIDSTIGSNIPIIPISAQLKRNIDYLLEYLCHI
PLPTRQLNCPAHMTVVRSFDINKPGEVDIENLRGGVAGGTVTRGIIRVNQ
VLEIRPGQVHAQTGGTFSCTPLRTRALTLKAEDNSLQYAVPGGLIAVGTT
LDPTLTRQDKMVGHMIADEGSLPEVYAEIEVQYFLFEEMVGRSKQRDRNA
KRVQKLNLQETLQINVGTLTAGATVVNITKNPDIAKLTLVTPVCCTLDEH
IAISRLVEKNFRLIGWGIIRR
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 chain7ase Chain 5 Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ase Structural Differences in Translation Initiation between Pathogenic Trypanosomatids and Their Mammalian Hosts.
Resolution3.33 Å
Binding residue
(original residue number in PDB)		V61 G64 K65 S66 T67 N197 K198 L201 Q234
Binding residue
(residue number reindexed from 1)		V12 G15 K16 S17 T18 N148 K149 L152 Q185
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:0005525 GTP binding
GO:0016787 hydrolase activity
Biological Process
GO:0001731 formation of translation preinitiation complex
GO:0006412 translation
GO:0006413 translational initiation
Cellular Component
GO:0005829 cytosol
GO:0005850 eukaryotic translation initiation factor 2 complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ase, PDBe:7ase, PDBj:7ase
PDBsum7ase
PubMed33357443
UniProtQ4CPV7

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