Browse entries in the PDBbind-CN Database

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Related entries of code: 4qmz
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%
4qmuRCSB PDB    PDBbind310aa, >4QMU_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%
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
3g0eRCSB PDB    PDBbindB49
3g0fRCSB PDB    PDBbindB49
3miyRCSB PDB    PDBbindB49
3ti1RCSB PDB    PDBbindB49
4agdRCSB PDB    PDBbindB49
6ng0RCSB PDB    PDBbindB49
6nfzRCSB PDB    PDBbindB49
6nfyRCSB PDB    PDBbindB49
Entry Information
PDB ID4qmz
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSterile20-like Kinase 3 (MST3)
Ligand NameB49
EC.Number E.C.2.7.11.1
Resolution 1.88(Å)
Affinity (Kd/Ki/IC50)IC50=0.21uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Chemmedchem Vol. 11: pp. 1137-1144
Ligand Properties
Formula C22H28FN4O2
Molecular Weight 399.482
Exact Mass 399.220
No. of atoms 57
No. of bonds 59
Polar Surface Area 78.43
LOGP Value 2.63      (Computed with XLOGP3)
2.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
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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