Structure of PDB 2hdn Chain J Binding Site BS02

Receptor Information
>2hdn Chain J (length=335) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GITINTSHVEYDTPTRHYAHVDCPGHADYVKNMITGAAQMDGAILVVAAT
DGPMPQTREHILLGRQVGVPYIIVFLNKCDMVDDEELLELVEMEVRELLS
QYDFPGDDTPIVRGSALKALEGDAEWEAKILELAGFLDSYIPEPERAIDK
PFLLPIEDVFSISGRGTVVTGRVERGIIKVGEEVEIVGIKETQKSTCTGV
EMFRKLLDEGRAGENVGVLLRGIKREEIERGQVLAKPGTIKPHTKFESEV
YILSKDEGGRHTPFFKGYRPQFYFRTTDVTGTIELPEGVEMVMPGDNIKM
VVTLIHPIAMDDGLRFAIREGGRTVGAGVVAKVLG
Ligand information
Ligand IDTAC
InChIInChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1
InChIKeyOFVLGDICTFRJMM-WESIUVDSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1(c2cccc(c2C(=O)C3=C(C4(C(CC31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O
ACDLabs 10.04O=C3C2=C(O)C1(O)C(=O)C(=C(O)C(N(C)C)C1CC2C(O)(c4cccc(O)c34)C)C(=O)N
CACTVS 3.341CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(N)=O)C(=O)c4c(O)cccc4[C@@]3(C)O
OpenEye OEToolkits 1.5.0C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O
CACTVS 3.341CN(C)[CH]1[CH]2C[CH]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)C(=O)c4c(O)cccc4[C]3(C)O
FormulaC22 H24 N2 O8
NameTETRACYCLINE
ChEMBLCHEMBL1440
DrugBankDB00759
ZINCZINC000084441937
PDB chain2hdn Chain J Residue 5888 [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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PDB2hdn Molecular complementarity between tetracycline and the GTPase active site of elongation factor Tu.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		T64 S65 D80 C81 P82
Binding residue
(residue number reindexed from 1)		T6 S7 D22 C23 P24
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T61 H84
Catalytic site (residue number reindexed from 1) T3 H26
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003746 translation elongation factor activity
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0006414 translational elongation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2hdn, PDBe:2hdn, PDBj:2hdn
PDBsum2hdn
PubMed17057344
UniProtP0CE47|EFTU1_ECOLI Elongation factor Tu 1 (Gene Name=tufA)

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