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: 1sh9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1sguRCSB PDB    PDBbind99aa, >1SGU_1|Chains... *
2p3aRCSB PDB    PDBbind99aa, >2P3A_1|Chains... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1hxwRCSB PDB    PDBbindRIT
3prsRCSB PDB    PDBbindRIT
3tneRCSB PDB    PDBbindRIT
4eyrRCSB PDB    PDBbindRIT
Entry Information
PDB ID1sh9
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namepol polyprotein
Ligand NameRIT
EC.Number E.C.3.4.23.16
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=932nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v43 pp. 12141-51, 2004
Ligand Properties
Formula C37H48N6O5S2
Molecular Weight 720.944
Exact Mass 720.313
No. of atoms 98
No. of bonds 101
Polar Surface Area 202.26
LOGP Value 6.05      (Computed with XLOGP3)
7.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 11
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): P03367  
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