Browse entries in the PDBbind-CN Database

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Related entries of code: 6q6f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6bkxRCSB PDB    PDBbind425aa, >6BKX_1|Chains... *
6bkyRCSB PDB    PDBbind425aa, >6BKY_1|Chains... at 100%
6bl1RCSB PDB    PDBbind425aa, >6BL1_1|Chains... at 100%
6bl2RCSB PDB    PDBbind425aa, >6BL2_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 ID6q6f
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameIDH1 R132H
Ligand NameHJQ
EC.Number E.C.1.1.1.42
Resolution 3.3(Å)
Affinity (Kd/Ki/IC50)Kd=445.9uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2020) Leukemia Vol. 34: pp. 416-426
Ligand Properties
Formula C18H31FN3
Molecular Weight 308.457
Exact Mass 308.250
No. of atoms 53
No. of bonds 55
Polar Surface Area 13.32
LOGP Value 2.52      (Computed with XLOGP3)
2.71      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
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): O75874  
Entrez Gene IDNCBI Entrez Gene ID: 3417  
ASDInformation of known allosteric effects of PDB entries

 
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