Structure of PDB 2bv3 Chain A Binding Site BS01

Receptor Information
>2bv3 Chain A (length=632) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDLKRLRNIGIAAHIDAGKTTTTERILYYTGRIHKRGITITAAVTTCFWK
DHRINIIDAPGHVDFTIEVERSMRVLDGAIVVFDSSQGVEPQSETVWRQA
EKYKVPRIAFANKMDKTGADLWLVIRTMQERLGARPVVMQLPIGREDTFS
GIIDVLRMKAYTYGNDLGTDIREIPIPEEYLDQAREYHEKLVEVAADFDE
NIMLKYLEGEEPTEEELVAAIRKGTIDLKITPVFLGSALKNKGVQLLLDA
VVDYLPSPLDIPPIKGTTPEGEVVEIHPDPNGPLAALAFKIMADPYVGRL
TFIRVYSGTLTSGSYVYNTTKGRKERVARLLRMHANHREEVEELKAGDLG
AVVGLKETITGDTLVGEDAPRVILESIEVPEPVIDVAIEPSPTFSVSTHP
ETGSTIISGMGELSLEIIVVGKPQVAYRETITKPVDVEGKFIRQTGGRGQ
YGHVKIKVEPLPRGSGFEFVNAIVGGVIPKEYIPAVQKGIEEAMQSGPLI
GFPVVDIKVTLYDGSYHEVDSSEMAFKIAGSMAIKEAVQKGDPVILEPIM
RVEVTTPEEYMGDVIGDLNARRGQILGMEPRGNAQVIRAFVPLAEMFGYA
TDLRSKTQGRGSFVMFFDHYQEVPKQVQEKLI
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain2bv3 Chain A Residue 1689 [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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PDB2bv3 Crystal Structure of a Mutant Elongation Factor G Trapped with a GTP Analogue.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		I21 G24 K25 T26 T27 N137 K138 D140 S262 L264
Binding residue
(residue number reindexed from 1)		I15 G18 K19 T20 T21 N112 K113 D115 S237 L239
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D22
Catalytic site (residue number reindexed from 1) D16
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003746 translation elongation factor activity
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0019003 GDP binding
GO:0043022 ribosome binding
Biological Process
GO:0006412 translation
GO:0006414 translational elongation
GO:0032790 ribosome disassembly
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:2bv3, PDBe:2bv3, PDBj:2bv3
PDBsum2bv3
PubMed16083884
UniProtP13551|EFG_THETH Elongation factor G (Gene Name=fusA)

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