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: 6nwl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3b1mRCSB PDB    PDBbind19aa, >3B1M_2|Chain... *
3cs8RCSB PDB    PDBbind12aa, >3CS8_2|Chain... at 100%
4qjrRCSB PDB    PDBbind14aa, >4QJR_2|Chain... at 100%
4qk4RCSB PDB    PDBbind14aa, >4QK4_2|Chain... at 100%
5q0iRCSB PDB    PDBbind12aa, >5Q0I_2|Chain... at 100%
5twoRCSB PDB    PDBbind15aa, >5TWO_2|Chain... at 100%
5unjRCSB PDB    PDBbind14aa, >5UNJ_2|Chain... at 100%
6nwkRCSB PDB    PDBbind12aa, >6NWK_2|Chain... at 100%
6fzpRCSB PDB    PDBbind14aa, >6FZP_2|Chain... at 100%
6fzjRCSB PDB    PDBbind14aa, >6FZJ_2|Chains... at 100%
6fzfRCSB PDB    PDBbind14aa, >6FZF_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2v95RCSB PDB    PDBbindHCY
4p6xRCSB PDB    PDBbindHCY
5hgcRCSB PDB    PDBbindHCY
6itqRCSB PDB    PDBbindHCY
6itpRCSB PDB    PDBbindHCY
6hggRCSB PDB    PDBbindHCY
6hgfRCSB PDB    PDBbindHCY
Entry Information
PDB ID6nwl
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAncestral Glucocorticoid Receptor 2 ligand binding domain, GR2 LBD
Ligand NameHCY
EC.Number E.C.-.-.-.-
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Ki=43nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Mol.Pharmacol. Vol. 96: pp. 408-417
Ligand Properties
Formula C21H30O5
Molecular Weight 362.460
Exact Mass 362.209
No. of atoms 56
No. of bonds 59
Polar Surface Area 94.83
LOGP Value 1.61      (Computed with XLOGP3)
1.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): Q9UBK2  
Entrez Gene IDNCBI Entrez Gene ID: 10891  
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2025    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