Structure of PDB 5hbn Chain A Binding Site BS02

Receptor Information
>5hbn Chain A (length=145) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RFTERAQKVLALAQEEALRLGHNNIGTEHILLGLVREGEGIAAKALQALG
LGSEKIQKEVESLIGRGQEMSQTIHYTPRAKKVIELSMDEARKLGHSYVG
TEHILLGLIREGEGVAARVLNNLGVSLNKARQQVLQLLGSNETGS
Ligand information
Ligand IDRPI
InChIInChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/t4-/m0/s1
InChIKeyCCTIOCVIZPCTGO-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[C@@H](CCCNC(=N)N[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.4[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NP(=O)(O)O
CACTVS 3.385N[CH](CCCNC(=N)N[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.4C(CC(C(=O)O)N)CNC(=N)NP(=O)(O)O
FormulaC6 H15 N4 O5 P
Namephospho-arginine
ChEMBL
DrugBank
ZINCZINC000001530092
PDB chain5hbn Chain A Residue 207 [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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PDB5hbn Arginine phosphorylation marks proteins for degradation by a Clp protease.
Resolution1.602 Å
Binding residue
(original residue number in PDB)		T7 R9 G44 I45 T105 E106 T147 G148
Binding residue
(residue number reindexed from 1)		T3 R5 G40 I41 T101 E102 T143 G144
Annotation score1
Binding affinityMOAD: Kd=12.9uM
PDBbind-CN: -logKd/Ki=4.89,Kd=12.9uM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5hbn, PDBe:5hbn, PDBj:5hbn
PDBsum5hbn
PubMed27749819
UniProtP37571|CLPC_BACSU Negative regulator of genetic competence ClpC/MecB (Gene Name=clpC)

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