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: 6ce2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2h9tRCSB PDB    PDBbindSVR
2nyrRCSB PDB    PDBbindSVR
3pp7RCSB PDB    PDBbindSVR
3ur0RCSB PDB    PDBbindSVR
4j4vRCSB PDB    PDBbindSVR
4x3uRCSB PDB    PDBbindSVR
4yv5RCSB PDB    PDBbindSVR
Entry Information
PDB ID6ce2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMyotoxin I
Ligand NameSVR
EC.Number E.C.-.-.-.-
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)Kd=0.5uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Sci Rep Vol. 8: pp. 10317-10317
Ligand Properties
Formula C51H52N6O23S6
Molecular Weight 1309.370
Exact Mass 1308.140
No. of atoms 138
No. of bonds 145
Polar Surface Area 673.47
LOGP Value 2.03      (Computed with XLOGP3)
15.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 8
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): P82114  
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