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: 6bl2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6bkxRCSB PDB    PDBbind425aa, >6BKX_1|Chains... *
6bkyRCSB PDB    PDBbind425aa, >6BKY_1|Chains... at 100%
6bl1RCSB PDB    PDBbind425aa, >6BL1_1|Chains... at 100%
6q6fRCSB PDB    PDBbind414aa, >6Q6F_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6bl2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameIsocitrate dehydrogenase [NADP] cytoplasmic
Ligand NameDWS
EC.Number E.C.1.1.1.42
Resolution 1.92(Å)
Affinity (Kd/Ki/IC50)IC50=41nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 6647-6657
Ligand Properties
Formula C27H24N4O3
Molecular Weight 452.504
Exact Mass 452.185
No. of atoms 58
No. of bonds 62
Polar Surface Area 115.97
LOGP Value 5.65      (Computed with XLOGP3)
4.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
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): O75874  
Entrez Gene IDNCBI Entrez Gene ID: 3417  
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