Structure of PDB 5l3s Chain E Binding Site BS01

Receptor Information
>5l3s Chain E (length=271) Species: 273057 (Saccharolobus solfataricus P2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STPYEKAVDEFIKDLQKSLISSDVNVKLVFSLTAKIKERLNKEKRKEWFI
SIVYDELSKLFGGDKEPNVNPTKLPFIIMLVGVQGSGKTTTAGKLAYFYK
KRGYKVGLVAADVYRPAAYDQLLQLGNQIGVQVYGEPNNQNPIEIAKKGV
DIFVKNKMDIIIVDTAGRHGYGEETKLLEEMKEMYDVLKPDDVILVIDAS
IGQKAYDLASRFHQASPIGSVIITKMDGTAKGGGALSAVVATGATIKFIG
TGEKIDELETFNAKRFVSRIL
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 chain5l3s Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5l3s Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Q105 G106 G108 K109 T110 T111 K115 R136 K246 D248 G271 G273 E274
Binding residue
(residue number reindexed from 1)		Q84 G85 G87 K88 T89 T90 K94 R115 K225 D227 G250 G252 E253
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:5l3s, PDBe:5l3s, PDBj:5l3s
PDBsum5l3s
PubMed27241309
UniProtQ97ZE7|SRP54_SACS2 Signal recognition particle 54 kDa protein (Gene Name=srp54)

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