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Related entries of code: 3n45
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%
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%
4demRCSB PDB    PDBbind375aa, >4DEM_1|Chain... at 100%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3n45
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman farnesyl pyrophosphate synthase (FPPS)-Residues 72-419
Ligand Name3N3
EC.Number E.C.2.5.1.1
Resolution 1.88(Å)
Affinity (Kd/Ki/IC50)IC50>500uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Nat.Chem.Biol. Vol. 6: pp. 660-666
Ligand Properties
Formula C17H15NO4
Molecular Weight 297.305
Exact Mass 297.100
No. of atoms 37
No. of bonds 39
Polar Surface Area 66.84
LOGP Value 3.73      (Computed with XLOGP3)
2.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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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