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Related entries of code: 4m7x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ewsRCSB PDB    PDBbind287aa, >2EWS_1|Chains... *
4m7yRCSB PDB    PDBbind273aa, >4M7Y_1|Chains... at 97%
5elzRCSB PDB    PDBbind273aa, >5ELZ_1|Chain... at 97%
5jicRCSB PDB    PDBbind273aa, >5JIC_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4m7x
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameStaphylococcus aureus Type II pantothenate kinase (SaPanKII)
Ligand Name27Q
EC.Number E.C.2.7.1.33
Resolution 1.42(Å)
Affinity (Kd/Ki/IC50)IC50=15.7uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2016) ACS Infect Dis Vol. 2: pp. 627-641
Ligand Properties
Formula C16H34N2O7P
Molecular Weight 397.424
Exact Mass 397.210
No. of atoms 60
No. of bonds 59
Polar Surface Area 161.94
LOGP Value 0.29      (Computed with XLOGP3)
1.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 0
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q8NVG0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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