Browse entries in the PDBbind-CN Database

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Related entries of code: 6jid
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6jibRCSB PDB    PDBbind323aa, >6JIB_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6jid
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMTHFD2
Ligand NameBQC
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=8.3uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Med.Chem.Lett. Vol. 10: pp. 893-898
Ligand Properties
Formula C21H18N4O4S
Molecular Weight 422.457
Exact Mass 422.105
No. of atoms 48
No. of bonds 52
Polar Surface Area 120.61
LOGP Value 0.48      (Computed with XLOGP3)
3.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
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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