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: 4lk6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1okoRCSB PDB    PDBbind121aa, >1OKO_1|Chains... at 100%
2vxjRCSB PDB    PDBbind121aa, >2VXJ_1|Chains... at 100%
2wyfRCSB PDB    PDBbind121aa, >2WYF_1|Chains... at 100%
3zybRCSB PDB    PDBbind122aa, >3ZYB_1|Chains... *
3zyfRCSB PDB    PDBbind122aa, >3ZYF_1|Chains... at 100%
3zyhRCSB PDB    PDBbind122aa, >3ZYH_1|Chains... at 100%
4a6sRCSB PDB    PDBbind121aa, >4A6S_1|Chains... at 100%
4ljhRCSB PDB    PDBbind122aa, >4LJH_1|Chains... at 100%
4lk7RCSB PDB    PDBbind121aa, >4LK7_1|Chains... at 100%
4lkdRCSB PDB    PDBbind121aa, >4LKD_1|Chains... at 100%
4lkeRCSB PDB    PDBbind121aa, >4LKE_1|Chains... at 100%
4lkfRCSB PDB    PDBbind121aa, >4LKF_1|Chains... at 100%
4yw6RCSB PDB    PDBbind121aa, >4YW6_1|Chains... at 100%
4yw7RCSB PDB    PDBbind121aa, >4YW7_1|Chains... at 100%
4ywaRCSB PDB    PDBbind121aa, >4YWA_1|Chains... at 100%
5d21RCSB PDB    PDBbind121aa, >5D21_1|Chains... at 100%
5mihRCSB PDB    PDBbind121aa, >5MIH_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4lk6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePA-I galactophilic lectin
Ligand NameGAL-LRD
EC.Number E.C.-.-.-.-
Resolution 2.86(Å)
Affinity (Kd/Ki/IC50)Kd=6.3uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Acs Chem.Biol. Vol. 8: pp. 1925-1930
Ligand Properties
Formula C25H26Cl2O10S
Molecular Weight 589.439
Exact Mass 588.062
No. of atoms 64
No. of bonds 67
Polar Surface Area 205.6
LOGP Value 2.87      (Computed with XLOGP3)
3.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
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): Q05097  
Entrez Gene IDNCBI Entrez Gene ID: 882335  
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