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: 6ibs
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%
6q2yRCSB PDB    PDBbind244aa, >6Q2Y_1|Chains... at 100%
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%
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 ID6ibs
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNDM-1
Ligand NameHB8
EC.Number E.C.-.-.-.-
Resolution 1.37(Å)
Affinity (Kd/Ki/IC50)Ki=11uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Med.Chem.Lett. Vol. 10: pp. 650-655
Ligand Properties
Formula C13H20BNO5S
Molecular Weight 313.178
Exact Mass 313.116
No. of atoms 41
No. of bonds 42
Polar Surface Area 94.26
LOGP Value 1.97      (Computed with XLOGP3)
0.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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