Browse entries in the PDBbind-CN Database

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Related entries of code: 4wvl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3qoxRCSB PDB    PDBbind426aa, >3QOX_1|Chain... *
3sr4RCSB PDB    PDBbind351aa, >3SR4_1|Chain... at 100%
4ek9RCSB PDB    PDBbind425aa, >4EK9_1|Chain... at 100%
4ekgRCSB PDB    PDBbind425aa, >4EKG_1|Chain... at 100%
4ekiRCSB PDB    PDBbind425aa, >4EKI_1|Chain... at 100%
4hraRCSB PDB    PDBbind425aa, >4HRA_1|Chain... at 100%
5drtRCSB PDB    PDBbind334aa, >5DRT_1|Chains... at 99%
5dryRCSB PDB    PDBbind334aa, >5DRY_1|Chains... at 99%
5dsxRCSB PDB    PDBbind334aa, >5DSX_1|Chains... at 99%
5dt2RCSB PDB    PDBbind334aa, >5DT2_1|Chains... at 99%
5dtmRCSB PDB    PDBbind334aa, >5DTM_1|Chains... at 99%
5dtqRCSB PDB    PDBbind334aa, >5DTQ_1|Chains... at 99%
5dtrRCSB PDB    PDBbind334aa, >5DTR_1|Chains... at 99%
5mw3RCSB PDB    PDBbind334aa, >5MW3_1|Chains... at 99%
5mw4RCSB PDB    PDBbind334aa, >5MW4_1|Chains... at 99%
6te6RCSB PDB    PDBbind334aa, >6TE6_1|Chains... at 99%
6telRCSB PDB    PDBbind334aa, >6TEL_1|Chains... at 99%
6tenRCSB PDB    PDBbind334aa, >6TEN_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4wvl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistone-lysine N-methyltransferase, H3 lysine-79 specific DOT1L
Ligand Name3US
EC.Number E.C.2.1.1.43
Resolution 2.41(Å)
Affinity (Kd/Ki/IC50)Kd=131nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acs Chem.Biol: pp.A-H
Ligand Properties
Formula C33H52N9O5
Molecular Weight 654.823
Exact Mass 654.409
No. of atoms 99
No. of bonds 102
Polar Surface Area 179.99
LOGP Value 3.04      (Computed with XLOGP3)
2.50      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 14
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): Q8TEK3  
Entrez Gene IDNCBI Entrez Gene ID: 84444  
ASDInformation of known allosteric effects of PDB entries
 
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