Structure of PDB 6fh4 Chain B Binding Site BS01

Receptor Information
>6fh4 Chain B (length=75) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEVVLINNIISQINTHLSQAASDDIILRLLEDKVISEREAKMMVSVMDRS
VLHIDLPERDELRARMMKAMLTSLK
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 chain6fh4 Chain B Residue 201 [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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PDB6fh4 Structure of McsB, a protein kinase for regulated arginine phosphorylation.
Resolution2.49 Å
Binding residue
(original residue number in PDB)		S95 Q96 R126 R136 D137 R140
Binding residue
(residue number reindexed from 1)		S18 Q19 R49 R59 D60 R63
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links