Structure of PDB 1ob5 Chain C Binding Site BS05

Receptor Information
>1ob5 Chain C (length=400) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IRTKPHVNVGTIGHVDHGKTTLTAALTYVAAAENPNVEVKDYGDIDKAPE
ERARGITINTAHVEYETAKRHYSHVDCPGHADYIKNMITGAAQMDGAILV
VSAADGPMPQTREHILLARQVGVPYIVVFMNKVDMVDDPELLDLVEMEVR
DLLNQYEFPGDEVPVIRGSALLALEEMHKNPKTKRGENEWVDKIWELLDA
IDEYIPTPVRDVDKPFLMPVEDVFTITGRGTVATGRIERGKVKVGDEVEI
VGLAPETRKTVVTGVEMHRKTLQEGIAGDNVGLLLRGVSREEVERGQVLA
KPGSITPHTKFEASVYILKKEEGGRHTGFFTGYRPQFYFRTTDVTGVVRL
PQGVEMVMPGDNVTFTVELIKPVALEEGLRFAIREGGRTVGAGVVTKILE
Ligand information
Ligand IDENX
InChIInChI=1S/C33H45Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-24,26-27,29-31,37-38,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12-/t20-,21+,23+,24-,26-,27-,29+,30-,31-/m1/s1
InChIKeyIWBADCVFZDCUTN-OCXJTLLTSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC\C=C\[C@@H](OC(N)=O)[C@@H](Cl)[C@H](O)CC(=O)[C@@H](O)[C@H](O)[C@H](C)\C(Cl)=C\C=C\C=C(C)\C=C\C=C\C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(O)=O
ACDLabs 10.04O=C(OC1CC(C(=O)O)CCC1O)\C=C\C=C\C(=C\C=C\C=C(/Cl)C(C)C(O)C(O)C(=O)CC(O)C(Cl)C(OC(=O)N)/C=C/CC)C
OpenEye OEToolkits 1.7.5CC/C=C/[C@H]([C@H]([C@@H](CC(=O)[C@H]([C@@H]([C@H](C)/C(=C/C=C/C=C(\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N
CACTVS 3.385CCC=C[CH](OC(N)=O)[CH](Cl)[CH](O)CC(=O)[CH](O)[CH](O)[CH](C)C(Cl)=CC=CC=C(C)C=CC=CC(=O)O[CH]1C[CH](CC[CH]1O)C(O)=O
OpenEye OEToolkits 1.7.5CCC=CC(C(C(CC(=O)C(C(C(C)C(=CC=CC=C(C)C=CC=CC(=O)OC1CC(CCC1O)C(=O)O)Cl)O)O)O)Cl)OC(=O)N
FormulaC33 H45 Cl2 N O11
NameENACYLOXIN IIA
ChEMBL
DrugBank
ZINCZINC000098208838
PDB chain1ob5 Chain C Residue 1408 [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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PDB1ob5 Enacyloxin Iia Pinpoints a Binding Pocket of Elongation Factor TU for Development of Novel Antibiotics.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		Q125 V126 Y161 L323 K325 E326 E327 G328 Y343 R345 F386 A387
Binding residue
(residue number reindexed from 1)		Q120 V121 Y156 L318 K320 E321 E322 G323 Y338 R340 F381 A382
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D21 K24 T25 T62 H85
Catalytic site (residue number reindexed from 1) D16 K19 T20 T57 H80
Enzyme Commision number 3.6.1.48: Transferred entry: 3.6.5.3.
Gene Ontology
Molecular Function
GO:0003746 translation elongation factor activity
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0006412 translation
GO:0006414 translational elongation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ob5, PDBe:1ob5, PDBj:1ob5
PDBsum1ob5
PubMed16257965
UniProtQ01698|EFTU_THEAQ Elongation factor Tu (Gene Name=tuf)

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