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: 4zy4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3fxzRCSB PDB    PDBbind297aa, >3FXZ_1|Chain... at 100%
3fy0RCSB PDB    PDBbind297aa, >3FY0_1|Chain... at 100%
4dawRCSB PDB    PDBbind297aa, >4DAW_1|Chain... at 100%
4eqcRCSB PDB    PDBbind301aa, >4EQC_1|Chain... *
4o0rRCSB PDB    PDBbind300aa, >4O0R_1|Chains... at 98%
4o0tRCSB PDB    PDBbind300aa, >4O0T_1|Chains... at 98%
4p90RCSB PDB    PDBbind297aa, >4P90_1|Chains... at 98%
4zjiRCSB PDB    PDBbind299aa, >4ZJI_1|Chains... at 98%
4zjjRCSB PDB    PDBbind299aa, >4ZJJ_1|Chains... at 98%
4zloRCSB PDB    PDBbind297aa, >4ZLO_1|Chains... at 99%
4zy5RCSB PDB    PDBbind301aa, >4ZY5_1|Chains... at 98%
4zy6RCSB PDB    PDBbind301aa, >4ZY6_1|Chains... at 98%
5deyRCSB PDB    PDBbind297aa, >5DEY_1|Chains... at 98%
5dfpRCSB PDB    PDBbind297aa, >5DFP_1|Chain... at 100%
5imeRCSB PDB    PDBbind300aa, >5IME_1|Chains... at 98%
5kbqRCSB PDB    PDBbind289aa, >5KBQ_1|Chains... at 98%
5kbrRCSB PDB    PDBbind289aa, >5KBR_1|Chains... at 98%
6b16RCSB PDB    PDBbind301aa, >6B16_1|Chains... 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 ID4zy4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase PAK 1
Ligand Name4T3
EC.Number E.C.2.7.11.1
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=22nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 5121-5136
Ligand Properties
Formula C17H22N7S
Molecular Weight 356.468
Exact Mass 356.166
No. of atoms 47
No. of bonds 51
Polar Surface Area 125.61
LOGP Value 2.46      (Computed with XLOGP3)
2.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
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): Q13153  
Entrez Gene IDNCBI Entrez Gene ID: 5058  
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