Structure of PDB 5hbn Chain A Binding Site BS01

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 206 [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)		G30 T31 E32 T81 R83 G118 V119
Binding residue
(residue number reindexed from 1)		G26 T27 E28 T77 R79 G114 V115
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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