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: 4c61
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2b7aRCSB PDB    PDBbind293aa, >2B7A_1|Chains... at 100%
2w1iRCSB PDB    PDBbind326aa, >2W1I_1|Chains... *
2xa4RCSB PDB    PDBbind298aa, >2XA4_1|Chains... at 98%
3e62RCSB PDB    PDBbind293aa, >3E62_1|Chain... at 99%
3e63RCSB PDB    PDBbind293aa, >3E63_1|Chain... at 99%
3e64RCSB PDB    PDBbind293aa, >3E64_1|Chain... at 99%
3fupRCSB PDB    PDBbind293aa, >3FUP_1|Chains... at 100%
3io7RCSB PDB    PDBbind313aa, >3IO7_1|Chain... at 95%
3iokRCSB PDB    PDBbind313aa, >3IOK_1|Chain... at 95%
3jy9RCSB PDB    PDBbind311aa, >3JY9_1|Chain... at 95%
3kckRCSB PDB    PDBbind313aa, >3KCK_1|Chain... at 95%
3krrRCSB PDB    PDBbind295aa, >3KRR_1|Chain... at 98%
3lpbRCSB PDB    PDBbind295aa, >3LPB_1|Chains... at 98%
3q32RCSB PDB    PDBbind301aa, >3Q32_1|Chains... at 97%
3rvgRCSB PDB    PDBbind303aa, >3RVG_1|Chain... at 98%
3tjcRCSB PDB    PDBbind298aa, >3TJC_1|Chains... at 98%
3tjdRCSB PDB    PDBbind298aa, >3TJD_1|Chains... at 98%
3ugcRCSB PDB    PDBbind295aa, >3UGC_1|Chain... at 98%
3zmmRCSB PDB    PDBbind298aa, >3ZMM_1|Chains... at 99%
4aqcRCSB PDB    PDBbind301aa, >4AQC_1|Chains... at 99%
4bbeRCSB PDB    PDBbind298aa, >4BBE_1|Chains... at 97%
4bbfRCSB PDB    PDBbind298aa, >4BBF_1|Chains... at 97%
4d0wRCSB PDB    PDBbind298aa, >4D0W_1|Chain... at 99%
4d0xRCSB PDB    PDBbind298aa, >4D0X_1|Chain... at 99%
4d1sRCSB PDB    PDBbind298aa, >4D1S_1|Chain... at 99%
4e6dRCSB PDB    PDBbind298aa, >4E6D_1|Chains... at 98%
4e6qRCSB PDB    PDBbind298aa, >4E6Q_1|Chains... at 98%
4f08RCSB PDB    PDBbind302aa, >4F08_1|Chains... at 98%
4f09RCSB PDB    PDBbind302aa, >4F09_1|Chain... at 98%
4gfmRCSB PDB    PDBbind302aa, >4GFM_1|Chain... at 98%
4gmyRCSB PDB    PDBbind302aa, >4GMY_1|Chain... at 98%
4hgeRCSB PDB    PDBbind300aa, >4HGE_1|Chains... at 99%
4ivaRCSB PDB    PDBbind300aa, >4IVA_1|Chain... at 99%
4jiaRCSB PDB    PDBbind300aa, >4JIA_1|Chain... at 99%
4p7eRCSB PDB    PDBbind293aa, >4P7E_1|Chains... at 100%
4ytcRCSB PDB    PDBbind296aa, >4YTC_1|Chain... at 97%
4ytfRCSB PDB    PDBbind296aa, >4YTF_1|Chain... at 97%
4ythRCSB PDB    PDBbind296aa, >4YTH_1|Chain... at 97%
4ytiRCSB PDB    PDBbind296aa, >4YTI_1|Chain... at 97%
4zimRCSB PDB    PDBbind321aa, >4ZIM_1|Chains... at 93%
5aepRCSB PDB    PDBbind298aa, >5AEP_1|Chain... at 99%
5cf4RCSB PDB    PDBbind321aa, >5CF4_1|Chains... at 93%
5cf5RCSB PDB    PDBbind321aa, >5CF5_1|Chains... at 93%
5cf6RCSB PDB    PDBbind321aa, >5CF6_1|Chains... at 93%
5cf8RCSB PDB    PDBbind301aa, >5CF8_1|Chains... at 97%
5l3aRCSB PDB    PDBbind295aa, >5L3A_1|Chain... at 98%
5tq3RCSB PDB    PDBbind304aa, >5TQ3_1|Chains... at 97%
5tq4RCSB PDB    PDBbind298aa, >5TQ4_1|Chain... at 98%
5tq5RCSB PDB    PDBbind298aa, >5TQ5_1|Chain... at 98%
5tq6RCSB PDB    PDBbind304aa, >5TQ6_1|Chains... at 98%
5tq7RCSB PDB    PDBbind304aa, >5TQ7_1|Chains... at 97%
5tq8RCSB PDB    PDBbind298aa, >5TQ8_1|Chain... at 98%
5usyRCSB PDB    PDBbind316aa, >5USY_1|Chains... at 99%
5wevRCSB PDB    PDBbind319aa, >5WEV_1|Chain... at 96%
6aajRCSB PDB    PDBbind299aa, >6AAJ_1|Chains... at 98%
6bbvRCSB PDB    PDBbind298aa, >6BBV_1|Chain... 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 ID4c61
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTYROSINE-PROTEIN KINASE JAK2
Ligand NameLMM
EC.Number E.C.2.7.10.2
Resolution 2.45(Å)
Affinity (Kd/Ki/IC50)IC50=0.004uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 144-158
Ligand Properties
Formula C17H17FN8S
Molecular Weight 384.434
Exact Mass 384.128
No. of atoms 44
No. of bonds 47
Polar Surface Area 121.68
LOGP Value 2.60      (Computed with XLOGP3)
3.73      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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): O60674  
Entrez Gene IDNCBI Entrez Gene ID: 3717  
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