Structure of PDB 1r5o Chain A Binding Site BS01

Receptor Information
>1r5o Chain A (length=409) Species: 4896 (Schizosaccharomyces pombe) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEDATDLQNEVDQELLKDMYGKEHVNIVFIGHVDAGKSTLGGNILFLTGM
VDKRTMEKIEREAKERAYFETEHRRFSLLDAPGASQADIGVLVISARRGE
FEAGFERGGQTREHAVLARTQGINHLVVVINKMDEPSVQWSEERYKECVD
KLSMFLRRVAGYNSKTDVKYMPVSAYTGQNVKDRVDSSVCPWYQGPSLLE
YLDSMTHLERKVNAPFIMPIASKYKDLGTILEGKIEAGSIKKNSNVLVMP
INQTLEVTAIYDEADEEISSSICGDQVRLRVRGDDSDVQTGYVLTSTKNP
VHATTRFIAQIAILELPSILTTGYSCVMHIHTAVEEVSFAKLLHKLDKTN
RKSKKPPMFATKGMKIIAELETQTPVCMERFEDYQYMGRFTLRDQGTTVA
VGKVVKILD
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 chain1r5o Chain A Residue 1986 [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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PDB1r5o Crystal structure and functional analysis of the eukaryotic class II release factor eRF3 from S. pombe
Resolution3.2 Å
Binding residue
(original residue number in PDB)		H246 V247 D248 G250 K251 S252 T253 K385 E388 Y429
Binding residue
(residue number reindexed from 1)		H32 V33 D34 G36 K37 S38 T39 K132 E135 Y176
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D248 K251 S252
Catalytic site (residue number reindexed from 1) D34 K37 S38
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003747 translation release factor activity
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0000288 nuclear-transcribed mRNA catabolic process, deadenylation-dependent decay
GO:0006415 translational termination

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1r5o, PDBe:1r5o, PDBj:1r5o
PDBsum1r5o
PubMed15099522
UniProtO74718|ERF3_SCHPO Eukaryotic peptide chain release factor GTP-binding subunit (Gene Name=sup35)

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