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: 1rs4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1rriRCSB PDB    PDBbind121aa, >1RRI_1|Chain... *
1rrwRCSB PDB    PDBbind121aa, >1RRW_1|Chain... at 100%
1rryRCSB PDB    PDBbind121aa, >1RRY_1|Chain... at 100%
1rs2RCSB PDB    PDBbind121aa, >1RS2_1|Chain... at 100%
1rsdRCSB PDB    PDBbind121aa, >1RSD_1|Chain... at 100%
1rsiRCSB PDB    PDBbind121aa, >1RSI_1|Chain... 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 ID1rs4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namedihydroneopterin aldolase
Ligand Name45P
EC.Number E.C.4.1.2.25
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=0.068uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v47 pp. 1709-18, 2004
Ligand Properties
Formula C18H13Cl2N7O2
Molecular Weight 430.248
Exact Mass 429.051
No. of atoms 42
No. of bonds 45
Polar Surface Area 131.58
LOGP Value 2.79      (Computed with XLOGP3)
3.29      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 9
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): P56740  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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