Browse entries in the PDBbind-CN Database

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Related entries of code: 5a3w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5a1fRCSB PDB    PDBbind475aa, >5A1F_1|Chain... at 100%
5a3nRCSB PDB    PDBbind481aa, >5A3N_1|Chain... *
5a3tRCSB PDB    PDBbind481aa, >5A3T_1|Chain... at 100%
5fpuRCSB PDB    PDBbind481aa, >5FPU_1|Chain... at 100%
5funRCSB PDB    PDBbind481aa, >5FUN_1|Chain... at 100%
6h52RCSB PDB    PDBbind481aa, >6H52_1|Chain... at 100%
6h51RCSB PDB    PDBbind481aa, >6H51_1|Chain... at 100%
6h50RCSB PDB    PDBbind481aa, >6H50_1|Chain... at 100%
6h4zRCSB PDB    PDBbind481aa, >6H4Z_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2gklRCSB PDB    PDBbindPD2
2vd7RCSB PDB    PDBbindPD2
2w0xRCSB PDB    PDBbindPD2
2w2iRCSB PDB    PDBbindPD2
4ie0RCSB PDB    PDBbindPD2
4nhyRCSB PDB    PDBbindPD2
4nrqRCSB PDB    PDBbindPD2

Entry Information
PDB ID5a3w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman KDM5B
Ligand NamePD2
EC.Number E.C.1.14.11
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=1.5uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nat.Chem.Biol. Vol. 12: pp. 539-548
Ligand Properties
Formula C7H5NO4
Molecular Weight 167.119
Exact Mass 167.022
No. of atoms 17
No. of bonds 17
Polar Surface Area 87.49
LOGP Value 2.11      (Computed with XLOGP3)
0.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
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): Q9UGL1  
Entrez Gene IDNCBI Entrez Gene ID: 10765  
ASDInformation of known allosteric effects of PDB entries

 
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