Structure of PDB 1u2r Chain A Binding Site BS03

Receptor Information
>1u2r Chain A (length=819) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFTVDQMRSLMDKVTNVRNMSVIAHVDHGKSTLTDSLVQRAGIISAGITI
KSTAISLYSEMSDEDVKEIKQKTDGNSFLINLIDSPGHVDFSSEVTAALR
VTDGALVVVDTIEGVCVQTETVLRQALGERIKPVVVINKVDRALLELQVS
KEDLYQTFARTVESVNVIVSTYADEVLGDVQVYPARGTVAFGSGLHGWAF
TIRQFATRYAKKFGVDKAKMMDRLWGDSFFNPKTKKWTNKDTDAEGKPLE
RAFNMFILDPIFRLFTAIMNFKKDEIPVLLEKLEIVLKGDEKDLEGKALL
KVVMRKFLPAADALLEMIVLHLPSPVTAQAYRAEQLYEGPADDANCIAIK
NCDPKADLMLYVSKMVPTSDKGRFYAFGRVFAGTVKSGQKVRIQGPNYVP
GKKDDLFIKAIQRVVLMMGRFVEPIDDCPAGNIIGLVGIDQFLLKTGTLT
TSETAHNMKVMKFSVSPVVQVAVEVKNANDLPKLVEGLKRLSKSDPCVLT
YMSESGEHIVAGTGELHLEICLQDLEHDHAGVPLKISPPVVAYRETVESE
SSQTALSKSPNKHNRIYLKAEPIDEEVSLAIENGIINPRDDFKARARIMA
DDYGWDVTDARKIWCFGPDGNGPNLVIDQTKAVQYLHEIKDSVVAAFQWA
TKEGPIFGEEMRSVRVNILDVTLHADAIHRGGGQIIPTMRRATYAGFLLA
DPKIQEPVFLVEIQCPEQAVGGIYSVLNKKRGQVVSEEQTPLFTVKAYLP
VNESFGFTGELRQATGGQAFPQMVFDHWSTLGSDPLDPTSKAGEIVLAAR
KRHGMKEEVPGWQEYYDKL
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain1u2r Chain A Residue 1920 [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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PDB1u2r Crystal Structure of ADP-ribosylated Ribosomal Translocase from Saccharomyces cerevisiae
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D29 G31 K32 S33 T34 K159 D161 S213 L215
Binding residue
(residue number reindexed from 1)		D27 G29 K30 S31 T32 K139 D141 S193 L195
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=5.41,Kd=3.9uM
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003746 translation elongation factor activity
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0019843 rRNA binding
GO:0042802 identical protein binding
GO:0043022 ribosome binding
GO:0051087 protein-folding chaperone binding
Biological Process
GO:0006412 translation
GO:0006414 translational elongation
GO:0045901 positive regulation of translational elongation
GO:1990145 maintenance of translational fidelity
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:1990904 ribonucleoprotein complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1u2r, PDBe:1u2r, PDBj:1u2r
PDBsum1u2r
PubMed15316019
UniProtP32324|EF2_YEAST Elongation factor 2 (Gene Name=EFT1)

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