Browse entries in the PDBbind-CN Database

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Related entries of code: 6jib
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6jidRCSB PDB    PDBbind323aa, >6JID_1|Chains... 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 ID6jib
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMTHFD2
Ligand NameBQF
EC.Number E.C.-.-.-.-
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)IC50=1.6uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Med.Chem.Lett. Vol. 10: pp. 893-898
Ligand Properties
Formula C20H15NO5
Molecular Weight 349.337
Exact Mass 349.095
No. of atoms 41
No. of bonds 44
Polar Surface Area 87.82
LOGP Value 3.07      (Computed with XLOGP3)
2.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
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): P13995  
Entrez Gene IDNCBI Entrez Gene ID: 10797  
ASDInformation of known allosteric effects of PDB entries

 
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