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: 2drc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1dhiRCSB PDB    PDBbind159aa, >1DHI_1|Chains... *
1dhjRCSB PDB    PDBbind159aa, >1DHJ_1|Chains... at 99%
2d0kRCSB PDB    PDBbind159aa, >2D0K_1|Chains... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ao8RCSB PDB    PDBbindMTX
1dhiRCSB PDB    PDBbindMTX
1dhjRCSB PDB    PDBbindMTX
2qk8RCSB PDB    PDBbindMTX
3eigRCSB PDB    PDBbindMTX
3qxtRCSB PDB    PDBbindMTX
3qxvRCSB PDB    PDBbindMTX
4kn0RCSB PDB    PDBbindMTX
5j7wRCSB PDB    PDBbindMTX
Entry Information
PDB ID2drc
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namedihydrofolate reductase
Ligand NameMTX
EC.Number E.C.1.5.1.3
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=0.13nM
Release Year1994
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v30 pp. 11092-103, 1991
Ligand Properties
Formula C20H22N8O5
Molecular Weight 454.439
Exact Mass 454.171
No. of atoms 55
No. of bonds 57
Polar Surface Area 210.54
LOGP Value 1.87      (Computed with XLOGP3)
1.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 3
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): P0ABQ4  
Entrez Gene IDNCBI Entrez Gene ID: 61752704  944790  
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