Browse entries in the PDBbind-CN Database

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Related entries of code: 4xmb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4l7bRCSB PDB    PDBbind300aa, >4L7B_1|Chains... at 96%
4l7cRCSB PDB    PDBbind300aa, >4L7C_1|Chains... at 96%
4l7dRCSB PDB    PDBbind300aa, >4L7D_1|Chains... at 96%
4n1bRCSB PDB    PDBbind300aa, >4N1B_1|Chains... at 96%
5fnqRCSB PDB    PDBbind304aa, >5FNQ_1|Chain... at 91%
5fnrRCSB PDB    PDBbind304aa, >5FNR_1|Chain... at 91%
5fnsRCSB PDB    PDBbind304aa, >5FNS_1|Chain... at 91%
5fntRCSB PDB    PDBbind304aa, >5FNT_1|Chain... at 91%
5fnuRCSB PDB    PDBbind304aa, >5FNU_1|Chain... at 91%
5x54RCSB PDB    PDBbind291aa, >5X54_1|Chains... at 99%
6fmpRCSB PDB    PDBbind414aa, >6FMP_1|Chains... *
6uf0RCSB PDB    PDBbind290aa, >6UF0_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4xmb
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman Keap1 Kelch domain
Ligand Name41P
EC.Number E.C.-.-.-.-
Resolution 2.43(Å)
Affinity (Kd/Ki/IC50)Kd=44nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Eur.J.Med.Chem. Vol. 103: pp. 252-268
Ligand Properties
Formula C28H28N4O8S2
Molecular Weight 612.674
Exact Mass 612.135
No. of atoms 70
No. of bonds 73
Polar Surface Area 196.16
LOGP Value 2.42      (Computed with XLOGP3)
5.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 12
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): Q14145  
Entrez Gene IDNCBI Entrez Gene ID: 9817  
ASDInformation of known allosteric effects of PDB entries
 
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