Structure of PDB 1jpj Chain A Binding Site BS01

Receptor Information
>1jpj Chain A (length=294) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFQQLSARLQEAIGRLRGRGRITEEDLKATLREIRRALMDADVNLEVARD
FVERVREEALGKQVLESLTPAEVILATVYEALKEALGGEARLPVLKDRNL
WFLVGLQGSGKTTTAAKLALYYKGKGRRPLLVAADTQRPAAREQLRLLGE
KVGVPVLEVMDGESPESIRRRVEEKARLEARDLILVDTAGRLQIDEPLMG
ELARLKEVLGPDEVLLVLDAMTGQEALSVARAFDEKVGVTGLVLTKLDGD
ARGGAALSARHVTGKPIYFAGVSEKPEGLEPFYPERLAGRILGM
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 chain1jpj Chain A Residue 967 [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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PDB1jpj The conformation of bound GMPPNP suggests a mechanism for gating the active site of the SRP GTPase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Q107 G108 G110 K111 T112 T113 Q144 K246 D248 G271 S273 E274
Binding residue
(residue number reindexed from 1)		Q107 G108 G110 K111 T112 T113 Q144 K246 D248 G271 S273 E274
Annotation score3
Enzymatic activity
Enzyme Commision number 3.6.5.4: signal-recognition-particle GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006614 SRP-dependent cotranslational protein targeting to membrane
Cellular Component
GO:0048500 signal recognition particle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1jpj, PDBe:1jpj, PDBj:1jpj
PDBsum1jpj
PubMed11566135
UniProtO07347|SRP54_THEAQ Signal recognition particle protein (Gene Name=ffh)

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