Structure of PDB 4v68 Chain AZ Binding Site BS05

Receptor Information
>4v68 Chain AZ (length=378) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEFIRTKPHVNVGTIGHVDHGKTTLTAALTFVTAAENPAHVEYETAKRHY
SHVDCPGHADYIKNMITGAAQMDGAILVVSAADGPMPQTREHILLARQVG
VPYIVVFMNKVDMVDDPELLDLVEMEVRDLLNQYEFPGDEVPVIRGSALL
ALEQMHRNPKTRRGENEWVDKIWELLDAIDEYIPTPVRDVDKPFLMPVED
VFTITGRGTVATGRIERGKVKVGDEVEIVGLAPETRKTVVTGVEMHRKTL
QEGIAGDNVGVLLRGVSREEVERGQVLAKPGSITPHTKFEASVYVLKKEE
GGRHTGFFSGYRPQFYFRTTDVTGVVQLPPGVEMVMPGDNVTFTVELIKP
VALEEGLRFAIREGGRTVGAGVVTKILE
Ligand information
Ligand IDMAU
InChIInChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31-,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1
InChIKeyNTAHMPNXQOYXSX-WKSONYIQSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC[CH](C(=O)NCC=CC=C(C)[CH](OC)[CH](C)[CH]1O[CH](C=CC=CC=C(C)C(=O)C2=C(O)C=CN(C)C2=O)[CH](O)[CH]1O)[C]3(O)O[CH](C=CC=CC)C(C)(C)[CH](O)[CH]3O
CACTVS 3.341CC[C@H](C(=O)NC/C=C/C=C(C)/[C@@H](OC)[C@@H](C)[C@@H]1O[C@H](/C=C/C=C/C=C(C)/C(=O)C2=C(O)C=CN(C)C2=O)[C@H](O)[C@@H]1O)[C@@]3(O)O[C@@H](\C=C\C=C/C)C(C)(C)[C@@H](O)[C@H]3O
ACDLabs 10.04O=C1N(C=CC(O)=C1C(=O)\C(=C\C=C\C=C\C2OC(C(O)C2O)C(C)C(OC)C(=C\C=C\CNC(=O)C(CC)C3(O)OC(\C=C\C=C/C)C(C(O)C3O)(C)C)\C)C)C
OpenEye OEToolkits 1.5.0CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O
OpenEye OEToolkits 1.5.0CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O
FormulaC44 H62 N2 O12
NameN-METHYL KIRROMYCIN;
AURODOX;
1-METHYLMOCIMYCIN;
ANTIBIOTIC X-5108;
GOLDINODOX;
GOLDINOMYCIN
ChEMBLCHEMBL3221419
DrugBankDB04124
ZINC
PDB chain4v68 Chain AZ Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4v68 GTPase activation of elongation factor EF-Tu by the ribosome during decoding
Resolution6.4 Å
Binding residue
(original residue number in PDB)		I93 L121 R124 Q125 V126 Y161 E162 E327 R385 F386 A387 T394 A397
Binding residue
(residue number reindexed from 1)		I66 L94 R97 Q98 V99 Y134 E135 E300 R358 F359 A360 T367 A370
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K24 T25 H85
Catalytic site (residue number reindexed from 1) K22 T23 H58
Enzyme Commision number ?
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:4v68, PDBe:4v68, PDBj:4v68
PDBsum4v68
PubMed19229291
UniProtP60339|EFTU2_THET8 Elongation factor Tu-B (Gene Name=tufB)

[Back to BioLiP]