Browse entries in the PDBbind-CN Database

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Related entries of code: 4pku
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1pwpRCSB PDB    PDBbind776aa, >1PWP_1|Chains... *
1pwqRCSB PDB    PDBbind776aa, >1PWQ_1|Chains... at 100%
1pwuRCSB PDB    PDBbind776aa, >1PWU_1|Chains... at 99%
1yqyRCSB PDB    PDBbind523aa, >1YQY_1|Chain... at 98%
1zxvRCSB PDB    PDBbind776aa, >1ZXV_1|Chains... at 100%
4dv8RCSB PDB    PDBbind526aa, >4DV8_1|Chain... at 97%
4pkrRCSB PDB    PDBbind519aa, >4PKR_1|Chain... at 98%
4pksRCSB PDB    PDBbind519aa, >4PKS_1|Chain... at 98%
4pktRCSB PDB    PDBbind519aa, >4PKT_1|Chain... at 98%
4pkvRCSB PDB    PDBbind519aa, >4PKV_1|Chain... at 98%
4pkwRCSB PDB    PDBbind519aa, >4PKW_1|Chain... at 98%
4wf6RCSB PDB    PDBbind519aa, >4WF6_1|Chain... at 98%
4xm6RCSB PDB    PDBbind519aa, >4XM6_1|Chain... at 98%
4xm7RCSB PDB    PDBbind519aa, >4XM7_1|Chain... at 98%
4xm8RCSB PDB    PDBbind519aa, >4XM8_1|Chain... at 98%
5d1sRCSB PDB    PDBbind519aa, >5D1S_1|Chain... at 98%
5d1tRCSB PDB    PDBbind519aa, >5D1T_1|Chain... at 98%
5d1uRCSB PDB    PDBbind519aa, >5D1U_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4pku
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLethal factor
Ligand Name30P
EC.Number E.C.3.4.24.83
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=30.0uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Acta Crystallogr.,Sect.D Vol. 70: pp. 2813-2822
Ligand Properties
Formula C17H20FN3O4S
Molecular Weight 381.422
Exact Mass 381.116
No. of atoms 46
No. of bonds 47
Polar Surface Area 121.11
LOGP Value 1.60      (Computed with XLOGP3)
3.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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): P15917  
Entrez Gene IDNCBI Entrez Gene ID: 45025515  
ASDInformation of known allosteric effects of PDB entries
 
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