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Related entries of code: 5d1s
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%
4pkuRCSB PDB    PDBbind519aa, >4PKU_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%
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 ID5d1s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAnthrax toxin lethal factor
Ligand Name56Q
EC.Number E.C.3.4.24.83
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=9.6uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 8723-8733
Ligand Properties
Formula C11H15FN2O4S
Molecular Weight 290.311
Exact Mass 290.074
No. of atoms 34
No. of bonds 34
Polar Surface Area 95.09
LOGP Value 0.79      (Computed with XLOGP3)
2.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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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