Structure of PDB 2q9b Chain A Binding Site BS01

Receptor Information
>2q9b Chain A (length=303) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGFFDRLKAGLAKTRERLLKAIPWGGNLEEVLEELEMALLAADVGLSATE
EILQEVRASGRKDLKEAVKEKLVGMLEPDERRATLRKLGFNPQKPKPVEP
KGRVVLVVGVNGVGKTTTIAKLGRYYQNLGKKVMFCAGDTFRAAGGTQLS
EWGKRLSIPVIQGPEGTDPAALAYDAVQAMKARGYDLLFVDTAGRLHTKH
NLMEELKKVKRAIAKADPEEPKEVWLVLDAVTGQNGLEQAKKFHEAVGLT
GVIVTKLDGTAKGGVLIPIVRTLKVPIKFVGVGEGPDDLQPFDPEAFVEA
LLE
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 chain2q9b Chain A Residue 950 [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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PDB2q9b X-ray Structures of the Signal Recognition Particle Receptor Reveal Targeting Cycle Intermediates.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		N111 G112 V113 G114 K115 T116 T117 A143 A144 T255 K256 G283 E284
Binding residue
(residue number reindexed from 1)		N111 G112 V113 G114 K115 T116 T117 A143 A144 T255 K256 G283 E284
Annotation score3
Enzymatic activity
Enzyme Commision number 3.6.5.4: signal-recognition-particle GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005047 signal recognition particle binding
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006605 protein targeting
GO:0006612 protein targeting to membrane
GO:0006614 SRP-dependent cotranslational protein targeting to membrane
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2q9b, PDBe:2q9b, PDBj:2q9b
PDBsum2q9b
PubMed17622352
UniProtP83749|FTSY_THEAQ Signal recognition particle receptor FtsY (Gene Name=ftsY)

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