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: 2qta
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1rp7RCSB PDB    PDBbind886aa, >1RP7_1|Chains... *
3lplRCSB PDB    PDBbind886aa, >3LPL_1|Chains... at 99%
3lq2RCSB PDB    PDBbind886aa, >3LQ2_1|Chains... at 99%
3lq4RCSB PDB    PDBbind886aa, >3LQ4_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1olsRCSB PDB    PDBbindTDP
1oluRCSB PDB    PDBbindTDP
1olxRCSB PDB    PDBbindTDP
1v11RCSB PDB    PDBbindTDP
1v16RCSB PDB    PDBbindTDP
1v1mRCSB PDB    PDBbindTDP
3lplRCSB PDB    PDBbindTDP
3lq2RCSB PDB    PDBbindTDP
3lq4RCSB PDB    PDBbindTDP
6cerRCSB PDB    PDBbindTDP
Entry Information
PDB ID2qta
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePyruvate dehydrogenase E1 component
Ligand NameTDP
EC.Number E.C.1.2.4.1
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Kd=1.75uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. 282: 28106-28116
Ligand Properties
Formula C12H21N4O7P2S
Molecular Weight 427.330
Exact Mass 427.061
No. of atoms 47
No. of bonds 48
Polar Surface Area 231.76
LOGP Value -1.41      (Computed with XLOGP3)
1.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 11
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): P0AFG8  
Entrez Gene IDNCBI Entrez Gene ID: 61752641  944834  
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