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: 3kf4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1iepRCSB PDB    PDBbind293aa, >1IEP_1|Chains... at 96%
2e2bRCSB PDB    PDBbind293aa, >2E2B_1|Chains... at 96%
2f4jRCSB PDB    PDBbind287aa, >2F4J_1|Chain... at 98%
2hiwRCSB PDB    PDBbind287aa, >2HIW_1|Chains... at 98%
2hyyRCSB PDB    PDBbind273aa, >2HYY_1|Chains... at 99%
2hz0RCSB PDB    PDBbind270aa, >2HZ0_1|Chains... at 99%
2hz4RCSB PDB    PDBbind273aa, >2HZ4_1|Chains... at 99%
2hziRCSB PDB    PDBbind277aa, >2HZI_1|Chains... at 98%
2hznRCSB PDB    PDBbind293aa, >2HZN_1|Chain... at 96%
2qohRCSB PDB    PDBbind288aa, >2QOH_1|Chains... at 98%
2v7aRCSB PDB    PDBbind286aa, >2V7A_1|Chains... at 98%
2z60RCSB PDB    PDBbind288aa, >2Z60_1|Chain... at 98%
3ik3RCSB PDB    PDBbind288aa, >3IK3_1|Chains... at 98%
3k5vRCSB PDB    PDBbind293aa, >3K5V_1|Chains... at 96%
3kfaRCSB PDB    PDBbind288aa, >3KFA_1|Chains... at 98%
3ms9RCSB PDB    PDBbind293aa, >3MS9_1|Chains... at 96%
3mssRCSB PDB    PDBbind293aa, >3MSS_1|Chains... at 96%
3oxzRCSB PDB    PDBbind284aa, >3OXZ_1|Chain... at 99%
3oy3RCSB PDB    PDBbind284aa, >3OY3_1|Chains... at 99%
3pyyRCSB PDB    PDBbind298aa, >3PYY_1|Chains... *
3qriRCSB PDB    PDBbind277aa, >3QRI_1|Chains... at 97%
3qrjRCSB PDB    PDBbind277aa, >3QRJ_1|Chains... at 97%
3qrkRCSB PDB    PDBbind277aa, >3QRK_1|Chain... at 97%
3ue4RCSB PDB    PDBbind287aa, >3UE4_1|Chains... at 98%
4twpRCSB PDB    PDBbind271aa, >4TWP_1|Chains... at 99%
4wa9RCSB PDB    PDBbind286aa, >4WA9_1|Chains... at 99%
4yc8RCSB PDB    PDBbind287aa, >4YC8_1|Chains... at 98%
5hu9RCSB PDB    PDBbind277aa, >5HU9_1|Chain... at 98%
6hd4RCSB PDB    PDBbind293aa, >6HD4_1|Chains... at 96%
6hd6RCSB PDB    PDBbind293aa, >6HD6_1|Chains... at 96%
6npvRCSB PDB    PDBbind298aa, >6NPV_1|Chains... at 100%
6npeRCSB PDB    PDBbind298aa, >6NPE_1|Chains... at 100%
6npuRCSB PDB    PDBbind298aa, >6NPU_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3kf4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein kinase transforming protein Abl
Ligand NameB90
EC.Number E.C.2.7.10.2
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50<0.5nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Chem.Biol.Drug Des. Vol. 75: pp. 18-28
Ligand Properties
Formula C23H22N7OP
Molecular Weight 443.441
Exact Mass 443.162
No. of atoms 54
No. of bonds 58
Polar Surface Area 111.19
LOGP Value 3.02      (Computed with XLOGP3)
4.70      (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: 5
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): P00520  
Entrez Gene IDNCBI Entrez Gene ID: 11350  
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