Structure of PDB 1tui Chain C Binding Site BS01

Receptor Information
>1tui Chain C (length=397) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPHVNVGTIGHVDHGKTTLTAALTYVAAAENPNVEVKDYGDIDKAPEERA
RGITINTAHVEYETAKRHYSHVDCPGHADYIKNMITGAAQMDGAILVVSA
ADGPMPQTREHILLARQVGVPYIVVFMNKVDMVDDPELLDLVEMEVRDLL
NQYEFPGDEVPVIRGSALLALEEMHKNPKTKRGENEWVDKIWELLDAIDE
YIPTPVRDVDKPFLMPVEDVFTITGRGTVATGRIERGKVKVGDEVEIVGL
APETRKTVVTGVEMHRKTLQEGIAGDNVGLLLRGVSREEVERGQVLAKPG
SITPHTKFEASVYILKKEEGGRHTGFFTGYRPQFYFRTTDVTGVVRLPQG
VEMVMPGDNVTFTVELIKPVALEEGLRFAIREGGRTVGAGVVTKILE
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 chain1tui Chain C Residue 407 [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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PDB1tui Helix unwinding in the effector region of elongation factor EF-Tu-GDP.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D21 G23 K24 T25 T26 Y47 N136 K137 D139 S174 L176
Binding residue
(residue number reindexed from 1)		D13 G15 K16 T17 T18 Y39 N128 K129 D131 S166 L168
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D21 K24 T25 T62 H85
Catalytic site (residue number reindexed from 1) D13 K16 T17 T54 H77
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1tui, PDBe:1tui, PDBj:1tui
PDBsum1tui
PubMed8939739
UniProtQ01698|EFTU_THEAQ Elongation factor Tu (Gene Name=tuf)

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