Browse entries in the PDBbind-CN Database

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Related entries of code: 5j7w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3uwlRCSB PDB    PDBbind315aa, >3UWL_2|Chains... at 100%
6qxsRCSB PDB    PDBbind315aa, >6QXS_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ao8RCSB PDB    PDBbindMTX
1dhiRCSB PDB    PDBbindMTX
1dhjRCSB PDB    PDBbindMTX
2drcRCSB PDB    PDBbindMTX
2qk8RCSB PDB    PDBbindMTX
3eigRCSB PDB    PDBbindMTX
3qxtRCSB PDB    PDBbindMTX
3qxvRCSB PDB    PDBbindMTX
4kn0RCSB PDB    PDBbindMTX
Entry Information
PDB ID5j7w
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameEnterococcus faecalis thymidylate synthase, EfTS
Ligand NameMTX
EC.Number E.C.2.1.1.45
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=13uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Eur.J.Med.Chem. Vol. 123: pp. 649-664
Ligand Properties
Formula C20H22N8O5
Molecular Weight 454.439
Exact Mass 454.171
No. of atoms 55
No. of bonds 57
Polar Surface Area 210.54
LOGP Value 1.87      (Computed with XLOGP3)
1.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 13
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): Q834R3  
Entrez Gene IDNCBI Entrez Gene ID: 60893881  
ASDInformation of known allosteric effects of PDB entries
 
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