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: 5wmt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2gfdRCSB PDB    PDBbind236aa, >2GFD_1|Chains... at 96%
2o1vRCSB PDB    PDBbind666aa, >2O1V_1|Chains... *
5in9RCSB PDB    PDBbind233aa, >5IN9_1|Chains... at 97%
6aolRCSB PDB    PDBbind233aa, >6AOL_1|Chain... at 97%
6aomRCSB PDB    PDBbind233aa, >6AOM_1|Chains... at 97%
6bawRCSB PDB    PDBbind236aa, >6BAW_1|Chains... at 96%
6c91RCSB PDB    PDBbind236aa, >6C91_1|Chains... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5vyyRCSB PDB    PDBbind9QY

Entry Information
PDB ID5wmt
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEndoplasmin
Ligand Name9QY
EC.Number E.C.-.-.-.-
Resolution 2.75(Å)
Affinity (Kd/Ki/IC50)Kd=1.38uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 2793-2805
Ligand Properties
Formula C20H19ClN2O4
Molecular Weight 386.829
Exact Mass 386.103
No. of atoms 46
No. of bonds 48
Polar Surface Area 84.58
LOGP Value 4.18      (Computed with XLOGP3)
3.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): P41148  
Entrez Gene IDNCBI Entrez Gene ID: 404019  
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