Structure of PDB 4v5q Chain AZ Binding Site BS04

Receptor Information
>4v5q Chain AZ (length=385) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKGEFVRTKPHVNVGTIGHVDHGKTTLTAALTYVAAAENPNVINTAHVEY
ETAKRHYSHVDCPGHADYIKNMITGAAQMDGAILVVSAADGPMPQTREHI
LLARQVGVPYIVVFMNKVDMVDDPELLDLVEMEVRDLLNQYEFPGDEVPV
IRGSALLALEQMHRNPKTRRGENEWVDKIWELLDAIDEYIPTPVRDVDKP
FLMPVEDVFTITGRGTVATGRIERGKVKVGDEVEIVGLAPETRRTVVTGV
EMHRKTLQEGIAGDNVGVLLRGVSREEVERGQVLAKPGSITPHTKFEASV
YVLKKEEGGRHTGFFSGYRPQFYFRTTDVTGVVQLPPGVEMVMPGDNVTF
TVELIKPVALEEGLRFAIREGGRTVGAGVVTKILE
Ligand information
Ligand IDKIR
InChIInChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1
InChIKeyHMSYAPGFKGSXAJ-PAHGNTJYSA-N
SMILES
SoftwareSMILES
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=CNC2=O)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O
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=CNC2=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=CNC2=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
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=CNC2=O)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O
ACDLabs 10.04O=C1NC=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
FormulaC43 H60 N2 O12
NameKIRROMYCIN;
MOCIMYCIN;
DELVOMYCIN;
MYC-8003
ChEMBL
DrugBank
ZINC
PDB chain4v5q Chain AZ Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4v5q How Mutations in tRNA Distant from the Anticodon Affect the Fidelity of Decoding.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		I93 E118 L121 R124 Q125 Y161 E162 E327 R385 F386 A387 T394 A397
Binding residue
(residue number reindexed from 1)		I73 E98 L101 R104 Q105 Y141 E142 E307 R365 F366 A367 T374 A377
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
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:4v5q, PDBe:4v5q, PDBj:4v5q
PDBsum4v5q
PubMed21378964
UniProtQ5SHN6|EFTU1_THET8 Elongation factor Tu-A (Gene Name=tufA)

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