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: 4kba
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3uytRCSB PDB    PDBbind296aa, >3UYT_1|Chains... at 98%
3uzpRCSB PDB    PDBbind296aa, >3UZP_1|Chains... at 98%
4hgtRCSB PDB    PDBbind296aa, >4HGT_1|Chains... at 98%
4hnfRCSB PDB    PDBbind296aa, >4HNF_1|Chains... at 98%
4hniRCSB PDB    PDBbind296aa, >4HNI_1|Chains... at 95%
4kb8RCSB PDB    PDBbind331aa, >4KB8_1|Chains... *
4kbcRCSB PDB    PDBbind317aa, >4KBC_1|Chains... at 99%
4kbkRCSB PDB    PDBbind331aa, >4KBK_1|Chains... at 100%
4tw9RCSB PDB    PDBbind295aa, >4TW9_1|Chains... at 98%
4twcRCSB PDB    PDBbind295aa, >4TWC_1|Chains... at 98%
5ih5RCSB PDB    PDBbind294aa, >5IH5_1|Chain... at 99%
5ih6RCSB PDB    PDBbind294aa, >5IH6_1|Chain... at 99%
5mqvRCSB PDB    PDBbind314aa, >5MQV_1|Chains... at 97%
5oktRCSB PDB    PDBbind314aa, >5OKT_1|Chains... at 97%
5w4wRCSB PDB    PDBbind331aa, >5W4W_1|Chains... at 100%
6gzmRCSB PDB    PDBbind295aa, >6GZM_1|Chains... at 98%
6hmrRCSB PDB    PDBbind314aa, >6HMR_1|Chains... at 97%
6hmpRCSB PDB    PDBbind314aa, >6HMP_1|Chains... at 97%
6f26RCSB PDB    PDBbind314aa, >6F26_1|Chains... at 97%
6f1wRCSB PDB    PDBbind314aa, >6F1W_2|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4kba
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCasein kinase I isoform delta
Ligand Name1QM
EC.Number E.C.2.7.11.1 2.7.11.26
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)IC50=6.0nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 6819-6828
Ligand Properties
Formula C18H18FN4O
Molecular Weight 325.360
Exact Mass 325.146
No. of atoms 42
No. of bonds 45
Polar Surface Area 56.55
LOGP Value 1.70      (Computed with XLOGP3)
3.31      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
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): P48730  
Entrez Gene IDNCBI Entrez Gene ID: 1453  
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