Browse entries in the PDBbind-CN Database

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Related entries of code: 3eig
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1kmvRCSB PDB    PDBbind186aa, >1KMV_1|Chain... *
1u71RCSB PDB    PDBbind186aa, >1U71_1|Chain... at 99%
3n0hRCSB PDB    PDBbind186aa, >3N0H_1|Chain... at 98%
3oafRCSB PDB    PDBbind186aa, >3OAF_1|Chain... at 98%
3s3vRCSB PDB    PDBbind186aa, >3S3V_1|Chain... at 98%
3s7aRCSB PDB    PDBbind186aa, >3S7A_1|Chain... at 100%
4g95RCSB PDB    PDBbind186aa, >4G95_1|Chain... 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
3qxtRCSB PDB    PDBbindMTX
3qxvRCSB PDB    PDBbindMTX
4kn0RCSB PDB    PDBbindMTX
5j7wRCSB PDB    PDBbindMTX
Entry Information
PDB ID3eig
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDihydrofolate reductase(F31R, Q35E)
Ligand NameMTX
EC.Number E.C.1.5.1.3
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Ki=21nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Biol.Chem. Vol. 284: pp. 20079-20089
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): P00374  
Entrez Gene IDNCBI Entrez Gene ID: 1719  
ASDInformation of known allosteric effects of PDB entries
 
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