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Related entries of code: 4dem
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1yq7RCSB PDB    PDBbind374aa, >1YQ7_1|Chain... at 100%
2f89RCSB PDB    PDBbind350aa, >2F89_1|Chain... at 99%
2f94RCSB PDB    PDBbind350aa, >2F94_1|Chain... at 99%
2f9kRCSB PDB    PDBbind350aa, >2F9K_1|Chain... at 99%
2vf6RCSB PDB    PDBbind378aa, >2VF6_1|Chain... *
3n1vRCSB PDB    PDBbind350aa, >3N1V_1|Chain... at 99%
3n1wRCSB PDB    PDBbind350aa, >3N1W_1|Chain... at 99%
3n3lRCSB PDB    PDBbind350aa, >3N3L_1|Chain... at 99%
3n45RCSB PDB    PDBbind350aa, >3N45_1|Chain... at 99%
3n46RCSB PDB    PDBbind350aa, >3N46_1|Chain... at 99%
3n49RCSB PDB    PDBbind350aa, >3N49_1|Chain... at 99%
3n5hRCSB PDB    PDBbind350aa, >3N5H_1|Chain... at 99%
3n5jRCSB PDB    PDBbind350aa, >3N5J_1|Chain... at 99%
3n6kRCSB PDB    PDBbind350aa, >3N6K_1|Chain... at 99%
4ga3RCSB PDB    PDBbind348aa, >4GA3_1|Chain... at 100%
4h5cRCSB PDB    PDBbind375aa, >4H5C_1|Chain... at 100%
4h5dRCSB PDB    PDBbind375aa, >4H5D_1|Chain... at 100%
4h5eRCSB PDB    PDBbind375aa, >4H5E_1|Chain... at 100%
4jvjRCSB PDB    PDBbind375aa, >4JVJ_1|Chain... at 100%
4l2xRCSB PDB    PDBbind375aa, >4L2X_1|Chain... at 100%
4lpgRCSB PDB    PDBbind375aa, >4LPG_1|Chain... at 100%
4lphRCSB PDB    PDBbind375aa, >4LPH_1|Chain... at 100%
4n1zRCSB PDB    PDBbind348aa, >4N1Z_1|Chain... at 100%
4p0vRCSB PDB    PDBbind347aa, >4P0V_1|Chain... at 100%
4p0wRCSB PDB    PDBbind348aa, >4P0W_1|Chain... at 100%
4p0xRCSB PDB    PDBbind348aa, >4P0X_1|Chain... at 100%
4pvxRCSB PDB    PDBbind375aa, >4PVX_1|Chain... at 100%
4pvyRCSB PDB    PDBbind375aa, >4PVY_1|Chain... at 100%
4qxsRCSB PDB    PDBbind375aa, >4QXS_1|Chain... at 100%
4rxaRCSB PDB    PDBbind348aa, >4RXA_1|Chain... at 100%
5dgmRCSB PDB    PDBbind350aa, >5DGM_1|Chain... at 99%
5diqRCSB PDB    PDBbind350aa, >5DIQ_1|Chain... at 99%
5djpRCSB PDB    PDBbind350aa, >5DJP_1|Chain... at 99%
5djrRCSB PDB    PDBbind350aa, >5DJR_1|Chain... at 99%
5djvRCSB PDB    PDBbind350aa, >5DJV_1|Chain... at 99%
5ja0RCSB PDB    PDBbind375aa, >5JA0_1|Chain... at 100%
5juzRCSB PDB    PDBbind375aa, >5JUZ_1|Chain... at 100%
5jv0RCSB PDB    PDBbind375aa, >5JV0_1|Chain... at 100%
5jv1RCSB PDB    PDBbind375aa, >5JV1_1|Chain... at 100%
5jv2RCSB PDB    PDBbind375aa, >5JV2_1|Chain... at 100%
5ksxRCSB PDB    PDBbind375aa, >5KSX_1|Chain... at 100%
6oahRCSB PDB    PDBbind375aa, >6OAH_1|Chain... at 100%
6oagRCSB PDB    PDBbind375aa, >6OAG_1|Chain... at 100%
6n83RCSB PDB    PDBbind375aa, >6N83_1|Chain... at 100%
6n82RCSB PDB    PDBbind375aa, >6N82_1|Chain... at 100%
6n7zRCSB PDB    PDBbind375aa, >6N7Z_1|Chain... at 100%
6n7yRCSB PDB    PDBbind375aa, >6N7Y_1|Chain... at 100%
5ygiRCSB PDB    PDBbind348aa, >5YGI_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4h5cRCSB PDB    PDBbindYS4
4h5dRCSB PDB    PDBbindYS4
Entry Information
PDB ID4dem
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFarnesyl pyrophosphate synthase
Ligand NameYS4
EC.Number E.C.2.5.1.1; E.C.2.5.1.10
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)IC50=28nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 3201-3215
Ligand Properties
Formula C15H22N2O7P2
Molecular Weight 404.292
Exact Mass 404.090
No. of atoms 48
No. of bonds 49
Polar Surface Area 182.71
LOGP Value -0.15      (Computed with XLOGP3)
1.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 9
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): P14324  
Entrez Gene IDNCBI Entrez Gene ID: 2224  
ASDInformation of known allosteric effects of PDB entries
 
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