Structure of PDB 1puj Chain A Binding Site BS01

Receptor Information
>1puj Chain A (length=261) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMAKARREVTEKLKLIDIVYELVDARIPMSSRNPMIEDILKNKPRIMLLN
KADKADAAVTQQWKEHFENQGIRSLSINSVNGQGLNQIVPASKEILQEKF
DRMRAKGVKPRAIRALIIGIPNVGKSTLINRLAKKNIAQWVKVGKELELL
DTPGILWPKFEDELVGLRLAVTGAIKDSIINLQDVAVFGLRFLEEHYPER
LKERYGLDEIPEDIAELFDAIGEKRGCLMSGGLINYDKTTEVIIRDIRTE
KFGRLSFEQPT
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 chain1puj Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1puj Structure of the YlqF GTPase from B. subtilis
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N58 K59 D61 K62 N86 S87 V88 N130 G132 K133 S134 T135 G174
Binding residue
(residue number reindexed from 1)		N50 K51 D53 K54 N78 S79 V80 N122 G124 K125 S126 T127 G154
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0016787 hydrolase activity
Biological Process
GO:0006412 translation
GO:0042254 ribosome biogenesis
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1puj, PDBe:1puj, PDBj:1puj
PDBsum1puj
PubMed
UniProtO31743|RBGA_BACSU Ribosome biogenesis GTPase A (Gene Name=rbgA)

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