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: 6hk4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1q3dRCSB PDB    PDBbind424aa, >1Q3D_1|Chains... at 99%
1q3wRCSB PDB    PDBbind424aa, >1Q3W_1|Chains... at 99%
1q41RCSB PDB    PDBbind424aa, >1Q41_1|Chains... at 99%
1q4lRCSB PDB    PDBbind424aa, >1Q4L_1|Chains... at 99%
1q5kRCSB PDB    PDBbind414aa, >1Q5K_1|Chains... at 100%
1uv5RCSB PDB    PDBbind350aa, >1UV5_1|Chain... at 99%
2jldRCSB PDB    PDBbind420aa, >2JLD_1|Chains... at 100%
2o5kRCSB PDB    PDBbind372aa, >2O5K_1|Chain... at 98%
2ow3RCSB PDB    PDBbind352aa, >2OW3_1|Chains... at 100%
3du8RCSB PDB    PDBbind422aa, >3DU8_1|Chains... at 99%
3f7zRCSB PDB    PDBbind350aa, >3F7Z_1|Chains... at 99%
3f88RCSB PDB    PDBbind349aa, >3F88_1|Chains... at 99%
3gb2RCSB PDB    PDBbind353aa, >3GB2_1|Chain... at 99%
3i4bRCSB PDB    PDBbind414aa, >3I4B_1|Chains... at 100%
3l1sRCSB PDB    PDBbind414aa, >3L1S_1|Chains... at 100%
3m1sRCSB PDB    PDBbind420aa, >3M1S_1|Chains... at 100%
3pupRCSB PDB    PDBbind420aa, >3PUP_1|Chains... at 100%
3q3bRCSB PDB    PDBbind424aa, >3Q3B_1|Chains... at 99%
4accRCSB PDB    PDBbind465aa, >4ACC_1|Chains... *
4acdRCSB PDB    PDBbind465aa, >4ACD_1|Chains... at 100%
4acgRCSB PDB    PDBbind465aa, >4ACG_1|Chains... at 100%
4achRCSB PDB    PDBbind465aa, >4ACH_1|Chains... at 100%
4iq6RCSB PDB    PDBbind426aa, >4IQ6_1|Chains... at 99%
4ptcRCSB PDB    PDBbind441aa, >4PTC_1|Chains... at 98%
4pteRCSB PDB    PDBbind441aa, >4PTE_1|Chains... at 98%
4ptgRCSB PDB    PDBbind441aa, >4PTG_1|Chains... at 98%
5f94RCSB PDB    PDBbind350aa, >5F94_1|Chains... at 100%
5f95RCSB PDB    PDBbind350aa, >5F95_1|Chains... at 100%
5hlnRCSB PDB    PDBbind424aa, >5HLN_1|Chains... at 99%
5hlpRCSB PDB    PDBbind424aa, >5HLP_1|Chains... at 99%
5k5nRCSB PDB    PDBbind370aa, >5K5N_1|Chains... at 96%
5kpkRCSB PDB    PDBbind424aa, >5KPK_1|Chains... at 99%
5kplRCSB PDB    PDBbind424aa, >5KPL_1|Chains... at 99%
5kpmRCSB PDB    PDBbind424aa, >5KPM_1|Chains... at 99%
5t31RCSB PDB    PDBbind420aa, >5T31_1|Chains... at 99%
6b8jRCSB PDB    PDBbind420aa, >6B8J_1|Chain... at 100%
6gn1RCSB PDB    PDBbind368aa, >6GN1_1|Chains... at 99%
6hk7RCSB PDB    PDBbind347aa, >6HK7_1|Chain... at 100%
6hk3RCSB PDB    PDBbind350aa, >6HK3_1|Chains... at 100%
6h0uRCSB PDB    PDBbind420aa, >6H0U_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 ID6hk4
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameGSK-3B
Ligand NameG8E
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=2.81nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J Chem Theory Comput Vol. 15: pp. 4646-4659
Ligand Properties
Formula C20H20N6O4S
Molecular Weight 440.476
Exact Mass 440.127
No. of atoms 51
No. of bonds 54
Polar Surface Area 148.78
LOGP Value 0.52      (Computed with XLOGP3)
3.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 10
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): P49841  
Entrez Gene IDNCBI Entrez Gene ID: 2932  
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