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: 6gjr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ak4RCSB PDB    PDBbind165aa, >1AK4_1|Chains... at 100%
1nmkRCSB PDB    PDBbind165aa, >1NMK_1|Chains... at 100%
1w8lRCSB PDB    PDBbind165aa, >1W8L_1|Chain... at 100%
1w8mRCSB PDB    PDBbind165aa, >1W8M_1|Chain... at 100%
1yndRCSB PDB    PDBbind165aa, >1YND_1|Chains... at 100%
2ms4RCSB PDB    PDBbind165aa, >2MS4_1|Chain... at 100%
2x2dRCSB PDB    PDBbind165aa, >2X2D_1|Chains... at 100%
4dgbRCSB PDB    PDBbind165aa, >4DGB_1|Chain... at 98%
4dgeRCSB PDB    PDBbind165aa, >4DGE_1|Chains... at 98%
5ludRCSB PDB    PDBbind165aa, >5LUD_1|Chain... at 100%
5t9uRCSB PDB    PDBbind164aa, >5T9U_1|Chains... at 100%
5t9wRCSB PDB    PDBbind164aa, >5T9W_1|Chain... at 100%
5t9zRCSB PDB    PDBbind163aa, >5T9Z_1|Chain... at 100%
5ta2RCSB PDB    PDBbind163aa, >5TA2_1|Chain... at 100%
5ta4RCSB PDB    PDBbind164aa, >5TA4_1|Chain... at 100%
6gjiRCSB PDB    PDBbind165aa, >6GJI_1|Chain... at 100%
6gjjRCSB PDB    PDBbind165aa, >6GJJ_1|Chain... at 100%
6gjlRCSB PDB    PDBbind165aa, >6GJL_1|Chain... at 100%
6gjmRCSB PDB    PDBbind165aa, >6GJM_1|Chain... at 100%
6gjnRCSB PDB    PDBbind165aa, >6GJN_1|Chain... at 100%
6gjyRCSB PDB    PDBbind165aa, >6GJY_1|Chain... 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 ID6gjr
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCypA
Ligand NameF0W
EC.Number E.C.5.2.1.8
Resolution 1.69(Å)
Affinity (Kd/Ki/IC50)Kd=184uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Chem Sci Vol.10 : pp.542-547
Ligand Properties
Formula C15H21N7O3
Molecular Weight 347.372
Exact Mass 347.171
No. of atoms 46
No. of bonds 47
Polar Surface Area 128.26
LOGP Value 0.38      (Computed with XLOGP3)
1.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 10
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): P62937  
Entrez Gene IDNCBI Entrez Gene ID: 5478  
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