Structure of PDB 2ywg Chain A Binding Site BS01

Receptor Information
>2ywg Chain A (length=528) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEQKNVRNFCIIAHVDHGKSTLADRLLEYTGAVKMQAVRMFYKAKDGNTY
KLHLIDTPGHVDFSYEVSRALAACEGALLLIDASQGIEAQTVANFWKAVE
QDLVIIPVINKIDLPSADVDRVKKQIEEVLGLDPEEAILASAKEGIGIEE
ILEAIVNRIPPPKGDPQKPLKALIFDSYYDPYRGAVAFVRIFDGEVKPGD
KIMLMSTGKEYEVTEVGAQTPKMTKFDKLSAGDVGYIAASIKDVRDIRIG
DTITHAKNPTKEPVPGFQPAKPMVYAGIYPAEDTTYEELRDALEKYAIND
AAIVYEPESSPALGMGFRVGFLGLLHMEIVQERLEREYGVKIITTAPNVI
YRVKKKFTDEVIEVRNPMDFPDNAGLIEYVEEPFVLVTIITPKEYVGPII
QLCQEKRGIQKNMTYLDPNTVYLEYEMPLSEIIVDFHDKIKSISRGFASY
DYEFIGYRPSDLIKLTVLINKKPVDALSFIVHADRAQKFARRVAEKLRET
IPRQLFEVHIQVAKGGKVIASERIKPLR
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 chain2ywg Chain A Residue 701 [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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PDB2ywg Crystal structures of GTP-binding protein LepA from Aquifex aeolicus
Resolution2.94 Å
Binding residue
(original residue number in PDB)		D16 G18 K19 S20 T21 N133 K134 D136 L137 S164 K166
Binding residue
(residue number reindexed from 1)		D16 G18 K19 S20 T21 N110 K111 D113 L114 S141 K143
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D16
Catalytic site (residue number reindexed from 1) D16
Enzyme Commision number 3.6.5.n1: elongation factor 4.
Gene Ontology
Molecular Function
GO:0003746 translation elongation factor activity
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0043022 ribosome binding
Biological Process
GO:0006412 translation
GO:0006414 translational elongation
GO:0045727 positive regulation of translation
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ywg, PDBe:2ywg, PDBj:2ywg
PDBsum2ywg
PubMed
UniProtO67618|LEPA_AQUAE Elongation factor 4 (Gene Name=lepA)

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