Structure of PDB 4acb Chain A Binding Site BS01

Receptor Information
>4acb Chain A (length=452) Species: 39152 (Methanococcus maripaludis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMDFKNINLGIFGHIDHGKTTLSKVLTEITIDIGFSAFKLENYRITLVDA
PGHADLIRAVVSAADIIDLALIVVDAKEGPKTQTGEHMLILDHFNIPIIV
VITKSDNAGTEEIKRTEMIMKSILQSTHNLKNSSIIPISAKTGFGVDELK
NLIITTLNNAEIIRNTESYFKMPLDHAFPIKGAGTVVTGTINKGIVKVGD
ELKVLPINMSTKVRSIQYFKESVMEAKAGDRVGMAIQGVDAKQIYRGCIL
TSKDTKLQTVDKIVAKIKISDIFKYNLTPKMKVHLNVGMLIVPAVAVPFK
KVTFGKTEENIILNEVISGNECYCAFELEEKVLAEVGDRVLITRLDLPPT
TLRICGHGLIEEFKPIKDLNIKKEVLREGKVKIDKGRTVIDGLAQSKVAA
EKLIGEEISIEGKDIVGKIKGTFGTKGLLTAEFSGNVENRDKVILNRLRR
WG
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 chain4acb Chain A Residue 1469 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4acb Selenocysteine tRNA-Specific Elongation Factor Selb is a Structural Chimaera of Elongation and Initiation Factors.
Resolution3.34 Å
Binding residue
(original residue number in PDB)		I14 D15 G17 K18 T19 T20 T46 G68 K120 D122 S155 A156 K157
Binding residue
(residue number reindexed from 1)		I15 D16 G18 K19 T20 T21 T30 G52 K104 D106 S139 A140 K141
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D15 K18 T19 T46 H69
Catalytic site (residue number reindexed from 1) D16 K19 T20 T30 H53
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
GO:0046872 metal ion binding
Biological Process
GO:0001514 selenocysteine incorporation
GO:0006414 translational elongation
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4acb, PDBe:4acb, PDBj:4acb
PDBsum4acb
PubMed15616587
UniProtQ8J307

[Back to BioLiP]