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: 6q2y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4exsRCSB PDB    PDBbind272aa, >4EXS_1|Chains... *
5a5zRCSB PDB    PDBbind251aa, >5A5Z_1|Chains... at 96%
6rmfRCSB PDB    PDBbind244aa, >6RMF_1|Chains... at 99%
6q30RCSB PDB    PDBbind244aa, >6Q30_1|Chains... at 100%
6ovzRCSB PDB    PDBbind235aa, >6OVZ_1|Chains... at 100%
6mduRCSB PDB    PDBbind233aa, >6MDU_1|Chain... at 98%
6ibvRCSB PDB    PDBbind244aa, >6IBV_1|Chains... at 100%
6ibsRCSB PDB    PDBbind244aa, >6IBS_1|Chains... at 100%
6efjRCSB PDB    PDBbind233aa, >6EFJ_1|Chain... at 98%
6d1kRCSB PDB    PDBbind233aa, >6D1K_1|Chain... at 98%
6d1iRCSB PDB    PDBbind233aa, >6D1I_1|Chain... at 98%
6d1jRCSB PDB    PDBbind233aa, >6D1J_1|Chain... at 98%
6d1hRCSB PDB    PDBbind233aa, >6D1H_1|Chain... at 98%
6d1gRCSB PDB    PDBbind233aa, >6D1G_1|Chain... at 98%
6d1dRCSB PDB    PDBbind233aa, >6D1D_1|Chain... at 98%
6d1bRCSB PDB    PDBbind233aa, >6D1B_1|Chain... at 98%
6d1aRCSB PDB    PDBbind233aa, >6D1A_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6q2y
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNDM-1
Ligand NameHCQ
EC.Number E.C.-.-.-.-
Resolution 1(Å)
Affinity (Kd/Ki/IC50)Ki=5.5uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Med.Chem.Lett. Vol. 10: pp. 650-655
Ligand Properties
Formula C9H15BNO3S
Molecular Weight 228.096
Exact Mass 228.087
No. of atoms 30
No. of bonds 31
Polar Surface Area 83.57
LOGP Value 0.26      (Computed with XLOGP3)
-2.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
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): C7C422  
Entrez Gene IDNCBI Entrez Gene ID: 61419528  
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