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: 4knm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3czvRCSB PDB    PDBbind264aa, >3CZV_1|Chains... *
4hu1RCSB PDB    PDBbind263aa, >4HU1_1|Chains... at 99%
4knnRCSB PDB    PDBbind263aa, >4KNN_1|Chains... at 99%
4qizRCSB PDB    PDBbind263aa, >4QIZ_1|Chains... at 99%
4qjpRCSB PDB    PDBbind263aa, >4QJP_1|Chains... at 99%
4qjxRCSB PDB    PDBbind263aa, >4QJX_1|Chain... at 99%
5e2nRCSB PDB    PDBbind263aa, >5E2N_1|Chains... at 99%
5llaRCSB PDB    PDBbind263aa, >5LLA_1|Chains... at 99%
6g5uRCSB PDB    PDBbind263aa, >6G5U_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4kniRCSB PDB    PDBbindE1E
Entry Information
PDB ID4knm
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCarbonic anhydrase 13
Ligand NameE1E
EC.Number E.C.4.2.1.1
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=10.0nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg.Med.Chem. Vol. 21: pp. 6937-6947
Ligand Properties
Formula C14H14ClN3O3S2
Molecular Weight 371.862
Exact Mass 371.017
No. of atoms 37
No. of bonds 38
Polar Surface Area 136.69
LOGP Value 2.45      (Computed with XLOGP3)
4.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
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): Q8N1Q1  
Entrez Gene IDNCBI Entrez Gene ID: 377677  
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