Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 4qmy
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%
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
1aq1RCSB PDB    PDBbindSTU
1nvrRCSB PDB    PDBbindSTU
1okyRCSB PDB    PDBbindSTU
1q3dRCSB PDB    PDBbindSTU
1sm2RCSB PDB    PDBbindSTU
1stcRCSB PDB    PDBbindSTU
1u59RCSB PDB    PDBbindSTU
1xbcRCSB PDB    PDBbindSTU
1xjdRCSB PDB    PDBbindSTU
1yhsRCSB PDB    PDBbindSTU
2dq7RCSB PDB    PDBbindSTU
2gcdRCSB PDB    PDBbindSTU
2oicRCSB PDB    PDBbindSTU
2z7rRCSB PDB    PDBbindSTU
3a4oRCSB PDB    PDBbindSTU
3hmoRCSB PDB    PDBbindSTU
4erwRCSB PDB    PDBbindSTU
4yzcRCSB PDB    PDBbindSTU
5e8wRCSB PDB    PDBbindSTU
5kq5RCSB PDB    PDBbindSTU
5lohRCSB PDB    PDBbindSTU
Entry Information
PDB ID4qmy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSterile20-like Kinase 3 (MST3)
Ligand NameSTU
EC.Number E.C.2.7.11.1
Resolution 1.88(Å)
Affinity (Kd/Ki/IC50)IC50=0.004uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Chemmedchem Vol. 11: pp. 1137-1144
Ligand Properties
Formula C28H30N4O3
Molecular Weight 470.563
Exact Mass 470.232
No. of atoms 65
No. of bonds 72
Polar Surface Area 81.77
LOGP Value 2.78      (Computed with XLOGP3)
3.72      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 8
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
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com