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: 3m6f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1cqpRCSB PDB    PDBbind182aa, >1CQP_1|Chains... at 99%
1mq8RCSB PDB    PDBbind177aa, >1MQ8_2|Chains... at 98%
1rd4RCSB PDB    PDBbind191aa, >1RD4_1|Chains... *
1xddRCSB PDB    PDBbind188aa, >1XDD_1|Chains... at 97%
1xdgRCSB PDB    PDBbind188aa, >1XDG_1|Chains... at 97%
1xuoRCSB PDB    PDBbind188aa, >1XUO_1|Chains... at 97%
2icaRCSB PDB    PDBbind183aa, >2ICA_1|Chain... at 97%
2o7nRCSB PDB    PDBbind183aa, >2O7N_1|Chain... at 97%
3bn3RCSB PDB    PDBbind180aa, >3BN3_1|Chain... at 97%
3bqnRCSB PDB    PDBbind182aa, >3BQN_1|Chains... at 99%
3e2mRCSB PDB    PDBbind185aa, >3E2M_1|Chains... at 98%
3eoaRCSB PDB    PDBbind181aa, >3EOA_3|Chains... at 100%
3eobRCSB PDB    PDBbind181aa, >3EOB_3|Chains... at 100%
3f78RCSB PDB    PDBbind181aa, >3F78_1|Chains... at 98%
3hi6RCSB PDB    PDBbind180aa, >3HI6_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3m6f
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLeukocyte function-associated antigen-1 (LFA-1)
Ligand NameBJZ
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)IC50=2.5nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Med.Chem. Vol. 53: pp. 3814-3830
Ligand Properties
Formula C26H19Cl2N5O4
Molecular Weight 536.366
Exact Mass 535.081
No. of atoms 56
No. of bonds 60
Polar Surface Area 117.84
LOGP Value 4.92      (Computed with XLOGP3)
4.47      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 9
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): P20701  
Entrez Gene IDNCBI Entrez Gene ID: 3683  
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2025    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