Structure of PDB 2px0 Chain A Binding Site BS01

Receptor Information
>2px0 Chain A (length=258) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEI
LCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIA
FITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFV
DTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSS
VPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPL
GFVRMLCR
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 chain2px0 Chain A Residue 1 [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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PDB2px0 The crystal structure of the third signal-recognition particle GTPase FlhF reveals a homodimer with bound GTP.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G185 G187 K188 T189 T190 R216 K318 D320 E321 T343 G345 Q346
Binding residue
(residue number reindexed from 1)		G77 G79 K80 T81 T82 R108 K210 D212 E213 T235 G237 Q238
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0006614 SRP-dependent cotranslational protein targeting to membrane

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2px0, PDBe:2px0, PDBj:2px0
PDBsum2px0
PubMed17699634
UniProtQ01960|FLHF_BACSU Flagellar biosynthesis protein FlhF (Gene Name=flhF)

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