Structure of PDB 3wxm Chain G Binding Site BS01

Receptor Information
>3wxm Chain G (length=432) Species: 272557 (Aeropyrum pernix K1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKPHMNLVVIGHVDHGKSTLVGHLLYRLGYIEEKKLKELEEQAKSRGKES
FKFAWILDKMKEERERGITIDLTFMKFETKKYVFTIIDAPGHRDFVKNMI
TGASQADAAILVVSARKGEFEAGMSTEGQTREHLLLARTMGIEQIIVAVN
KMDAPDVNYDQKRYEFVVSVLKKFMKGLGYQVDKIPFIPVSAWKGDNLIE
RSPNMPWYNGPTLVEALDQLQPPAKPVDKPLRIPVQNVYSIPGAGTVPVG
RVETGVLRVGDKVVFMPPGVVGEVRSIEMHYQQLQQAEPGDNIGFAVRGV
SKSDIKRGDVAGHLDKPPTVAEEFEARIFVIWHPSAITVGYTPVIHVHTA
SVSSRIIEIKAKLDPKTGQVVEQNPQFLKAGDAAIVRFKPVKPLVVEKFS
EIPQLGRFAMRDMNRTVGIGIVTDVKPAKVDI
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain3wxm Chain G Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wxm Structural basis for mRNA surveillance by archaeal Pelota and GTP-bound EF1 alpha complex
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D16 G18 K19 S20 T21 S52 F53 I70 T71 G93 N152 K153 D155 S193 A194 W195
Binding residue
(residue number reindexed from 1)		D14 G16 K17 S18 T19 S50 F51 I68 T69 G91 N150 K151 D153 S191 A192 W193
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D16 K19 S20 T71 H94
Catalytic site (residue number reindexed from 1) D14 K17 S18 T69 H92
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003746 translation elongation factor activity
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
Biological Process
GO:0006412 translation
GO:0006414 translational elongation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3wxm, PDBe:3wxm, PDBj:3wxm
PDBsum3wxm
PubMed20876129
UniProtQ9YAV0|EF1A_AERPE Elongation factor 1-alpha (Gene Name=tuf)

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