Structure of PDB 4crn Chain P Binding Site BS01

Receptor Information
>4crn Chain P (length=430) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGKDHVSLIFMGHVDAGKSTMGGNLLYLTGSVDKRTIEKYEREAKDAGRQ
GWYLSWVMDTNKEERNDGKTIEVGKAYFETEKRRYTILDAPGHKMYVSEM
IGGASQADVGVLVISARKGEYETGFERGGQTREHALLAKTQGVNKMVVVV
NKMDDPTVNWSKERYDQCVSNVSNFLRAIGYNIKTDVVFMPVSGYSGANL
KDHVDPKECPWYTGPTLLEYLDTMNHVDRHINAPFMLPIAAKMKDLGTIV
EGKIESGHIKKGQSTLLMPNKTAVEIQNIYNETENEVDMAMCGEQVKLRI
KGVEEEDISPGFVLTSPKNPIKSVTKFVAQIAIVELKSIIAAGFSCVMHV
HTAIEEVHIVKLLHKLEKGTNRKSKKPPAFAKKGMKVIAVLETEAPVCVE
TYQDYPQLGRFTLRDQGTTIAIGKIVKIAE
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 chain4crn Chain P Residue 1685 [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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PDB4crn Cryoelectron Microscopic Structures of Eukaryotic Translation Termination Complexes Containing Erf1-Erf3 or Erf1-Abce1.
Resolution9.1 Å
Binding residue
(original residue number in PDB)		V268 D269 A270 G271 K272 S273 Q304 Y307 T324 I325 A344 P345 G346 K348 N405 K406 D409
Binding residue
(residue number reindexed from 1)		V14 D15 A16 G17 K18 S19 Q50 Y53 T70 I71 A90 P91 G92 K94 N151 K152 D155
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) K272 S273 T324 H347
Catalytic site (residue number reindexed from 1) K18 S19 T70 H93
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4crn, PDBe:4crn, PDBj:4crn
PDBsum4crn
PubMed25001285
UniProtP05453|ERF3_YEAST Eukaryotic peptide chain release factor GTP-binding subunit (Gene Name=SUP35)

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