Browse entries in the PDBbind-CN Database

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Related entries of code: 4qmu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4o27RCSB PDB    PDBbind281aa, >4O27_2|Chain... at 99%
4qmmRCSB PDB    PDBbind310aa, >4QMM_1|Chain... *
4qmnRCSB PDB    PDBbind310aa, >4QMN_1|Chain... at 100%
4qmoRCSB PDB    PDBbind310aa, >4QMO_1|Chain... at 100%
4qmpRCSB PDB    PDBbind310aa, >4QMP_1|Chain... at 100%
4qmqRCSB PDB    PDBbind310aa, >4QMQ_1|Chain... at 100%
4qmsRCSB PDB    PDBbind310aa, >4QMS_1|Chain... at 100%
4qmtRCSB PDB    PDBbind310aa, >4QMT_1|Chain... at 100%
4qmvRCSB PDB    PDBbind310aa, >4QMV_1|Chain... at 100%
4qmwRCSB PDB    PDBbind310aa, >4QMW_1|Chain... at 100%
4qmxRCSB PDB    PDBbind310aa, >4QMX_1|Chain... at 100%
4qmyRCSB PDB    PDBbind310aa, >4QMY_1|Chain... at 100%
4qmzRCSB PDB    PDBbind310aa, >4QMZ_1|Chain... at 100%
4qnaRCSB PDB    PDBbind310aa, >4QNA_1|Chain... at 100%
4qo9RCSB PDB    PDBbind310aa, >4QO9_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3amaRCSB PDB    PDBbindSKE
5usyRCSB PDB    PDBbindSKE
5uszRCSB PDB    PDBbindSKE
6p11RCSB PDB    PDBbindSKE
6p10RCSB PDB    PDBbindSKE
5winRCSB PDB    PDBbindSKE
Entry Information
PDB ID4qmu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSterile20-like Kinase 3 (MST3)
Ligand NameSKE
EC.Number E.C.2.7.11.1
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)IC50=1.3uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Chemmedchem Vol. 11: pp. 1137-1144
Ligand Properties
Formula C15H12F2N6O3S
Molecular Weight 394.356
Exact Mass 394.066
No. of atoms 39
No. of bonds 41
Polar Surface Area 154.37
LOGP Value 2.39      (Computed with XLOGP3)
3.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 9
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): Q9Y6E0  
Entrez Gene IDNCBI Entrez Gene ID: 8428  
ASDInformation of known allosteric effects of PDB entries
 
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