Structure of PDB 2e1r Chain A Binding Site BS01

Receptor Information
>2e1r Chain A (length=828) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVAFTVDQMRSLMDKVTNVRNMSVIAHVDHGKSTLTDSLVQRAGIISAAK
ERGITIKSTAISLYSEMSDEDVKEIKQKTDGNSFLINLIDSPGHVDFSSE
VTAALRVTDGALVVVDTIEGVCVQTETVLRQALGERIKPVVVINKVDRAL
LELQVSKEDLYQTFARTVESVNVIVSTYADEVLGDVQVYPARGTVAFGSG
LHGWAFTIRQFATRYAKKFGVDKAKMMDRLWGDSFFNPKTKKWTNKDTDA
EGKPLERAFNMFILDPIFRLFTAIMNFKKDEIPVLLEKLEIVLKGDEKDL
EGKALLKVVMRKFLPAADALLEMIVLHLPSPVTAQAYRAEQLYEGPADDA
NCIAIKNCDPKADLMLYVSKMVPTSDKGRFYAFGRVFAGTVKSGQKVRIQ
GPNYVPGKKDDLFIKAIQRVVLMMGRFVEPIDDCPAGNIIGLVGIDQFLL
KTGTLTTSETAHNMKVMKFSVSPVVQVAVEVKNANDLPKLVEGLKRLSKS
DPCVLTYMSESGEHIVAGTGELHLEICLQDLEHDHAGVPLKISPPVVAYR
ETVESESSQTALSKSPNKHNRIYLKAEPIDEEVSLAIENGIINPRDDFKA
RARIMADDYGWDVTDARKIWCFGPDGNGPNLVIDQTKAVQYLHEIKDSVV
AAFQWATKEGPIFGEEMRSVRVNILDVTLHADAIHRGGGQIIPTMRRATY
AGFLLADPKIQEPVFLVEIQCPEQAVGGIYSVLNKKRGQVVSEEQRPGTP
LFTVKAYLPVNESFGFTGELRQATGGQAFPQMVFDHWSTLGSDPLDPTSK
AGEIVLAARKRHGMKEEVPGWQEYYDKL
Ligand information
Ligand IDSOD
InChIInChI=1S/C29H39ClO6/c1-14(2)21-6-18-9-27(12-31)22-8-23(30)16(4)20(22)10-28(18,29(21,27)26(32)33)13-35-24-7-19-15(3)11-34-25(19)17(5)36-24/h6,12,14,16-20,22-25H,3,7-11,13H2,1-2,4-5H3,(H,32,33)/t16-,17+,18-,19-,20+,22+,23+,24+,25+,27-,28-,29-/m0/s1
InChIKeyOFLZRRPTCKISFB-SHWNUAPTSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4C[C@@H](Cl)[C@@H](C)[C@H]4C[C@@]2(CO[C@H]5C[C@@H]6[C@H](OCC6=C)[C@@H](C)O5)[C@]13C(O)=O
CACTVS 3.341CC(C)C1=C[CH]2C[C]3(C=O)[CH]4C[CH](Cl)[CH](C)[CH]4C[C]2(CO[CH]5C[CH]6[CH](OCC6=C)[CH](C)O5)[C]13C(O)=O
OpenEye OEToolkits 1.5.0CC1C(CC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)COC5CC6C(C(O5)C)OCC6=C)Cl
OpenEye OEToolkits 1.5.0C[C@@H]1[C@@H](C[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5C[C@@H]6[C@@H]([C@H](O5)C)OCC6=C)Cl
ACDLabs 10.04ClC6CC2C(CC3(C1C=C(C(C)C)C3(C(=O)O)C2(C=O)C1)COC5OC(C4OC/C(=C)C4C5)C)C6C
FormulaC29 H39 Cl O6
Name
ChEMBL
DrugBank
ZINCZINC000066120271
PDB chain2e1r Chain A Residue 901 [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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PDB2e1r Sordarin derivatives induce a novel conformation of the yeast ribosome translocation factor eEF2
Resolution3.15 Å
Binding residue
(original residue number in PDB)		P487 Q490 Y521 S523 E524 A562 P727 F798 W801
Binding residue
(residue number reindexed from 1)		P473 Q476 Y507 S509 E510 A548 P713 F784 W787
Annotation score1
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:2e1r, PDBe:2e1r, PDBj:2e1r
PDBsum2e1r
PubMed17082187
UniProtP32324|EF2_YEAST Elongation factor 2 (Gene Name=EFT1)

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