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: 5xsu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1uk0RCSB PDB    PDBbind350aa, >1UK0_1|Chains... at 99%
1uk1RCSB PDB    PDBbind350aa, >1UK1_1|Chains... at 99%
1wokRCSB PDB    PDBbind350aa, >1WOK_1|Chains... at 99%
2rcwRCSB PDB    PDBbind350aa, >2RCW_1|Chain... at 99%
2rd6RCSB PDB    PDBbind350aa, >2RD6_1|Chain... at 100%
3gjwRCSB PDB    PDBbind350aa, >3GJW_1|Chain... at 100%
3gn7RCSB PDB    PDBbind350aa, >3GN7_1|Chain... at 100%
3l3lRCSB PDB    PDBbind350aa, >3L3L_1|Chain... at 100%
3l3mRCSB PDB    PDBbind350aa, >3L3M_1|Chain... at 100%
4hhyRCSB PDB    PDBbind355aa, >4HHY_1|Chains... at 98%
4hhzRCSB PDB    PDBbind355aa, >4HHZ_1|Chains... at 98%
4l6sRCSB PDB    PDBbind353aa, >4L6S_1|Chains... at 99%
4pjtRCSB PDB    PDBbind370aa, >4PJT_1|Chains... at 97%
4r5wRCSB PDB    PDBbind358aa, >4R5W_1|Chains... at 98%
4r6eRCSB PDB    PDBbind358aa, >4R6E_1|Chains... at 98%
4undRCSB PDB    PDBbind373aa, >4UND_1|Chains... *
4uxbRCSB PDB    PDBbind352aa, >4UXB_1|Chains... at 100%
4zzzRCSB PDB    PDBbind362aa, >4ZZZ_1|Chains... at 96%
5a00RCSB PDB    PDBbind362aa, >5A00_1|Chain... at 96%
5ha9RCSB PDB    PDBbind351aa, >5HA9_1|Chains... at 99%
5xsrRCSB PDB    PDBbind355aa, >5XSR_1|Chain... at 98%
5xstRCSB PDB    PDBbind350aa, >5XST_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5xsu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepoly(ADP-ribose) polymerases-1
Ligand Name8E3
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Kd=180nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Eur J Med Chem Vol. 145: pp. 389-403
Ligand Properties
Formula C15H14FN4O2
Molecular Weight 301.296
Exact Mass 301.110
No. of atoms 36
No. of bonds 39
Polar Surface Area 101.52
LOGP Value 0.66      (Computed with XLOGP3)
2.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
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): P09874  
Entrez Gene IDNCBI Entrez Gene ID: 142  
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