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: 3r8i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1i7iRCSB PDB    PDBbind292aa, >1I7I_1|Chains... at 98%
1nyxRCSB PDB    PDBbind276aa, >1NYX_1|Chains... at 100%
1zeoRCSB PDB    PDBbind277aa, >1ZEO_1|Chains... at 99%
2athRCSB PDB    PDBbind271aa, >2ATH_1|Chains... at 100%
2f4bRCSB PDB    PDBbind271aa, >2F4B_1|Chains... at 100%
2g0gRCSB PDB    PDBbind271aa, >2G0G_1|Chains... at 100%
2g0hRCSB PDB    PDBbind271aa, >2G0H_1|Chains... at 100%
2gtkRCSB PDB    PDBbind271aa, >2GTK_1|Chain... at 100%
2i4jRCSB PDB    PDBbind286aa, >2I4J_1|Chains... at 100%
2i4pRCSB PDB    PDBbind286aa, >2I4P_1|Chains... at 100%
2i4zRCSB PDB    PDBbind286aa, >2I4Z_1|Chains... at 100%
2p4yRCSB PDB    PDBbind277aa, >2P4Y_1|Chains... at 99%
2q8sRCSB PDB    PDBbind271aa, >2Q8S_1|Chains... at 100%
2yfeRCSB PDB    PDBbind287aa, >2YFE_1|Chains... at 100%
3adsRCSB PDB    PDBbind287aa, >3ADS_1|Chains... at 100%
3adtRCSB PDB    PDBbind287aa, >3ADT_1|Chains... at 100%
3aduRCSB PDB    PDBbind287aa, >3ADU_1|Chains... at 100%
3advRCSB PDB    PDBbind287aa, >3ADV_1|Chains... at 100%
3bc5RCSB PDB    PDBbind296aa, >3BC5_1|Chain... at 100%
3ia6RCSB PDB    PDBbind271aa, >3IA6_1|Chains... at 100%
3osiRCSB PDB    PDBbind285aa, >3OSI_1|Chains... at 100%
3oswRCSB PDB    PDBbind285aa, >3OSW_1|Chains... at 100%
3r5nRCSB PDB    PDBbind274aa, >3R5N_1|Chain... at 100%
3sz1RCSB PDB    PDBbind278aa, >3SZ1_1|Chains... at 100%
3ty0RCSB PDB    PDBbind277aa, >3TY0_1|Chains... at 99%
3u9qRCSB PDB    PDBbind269aa, >3U9Q_1|Chain... at 100%
4a4vRCSB PDB    PDBbind287aa, >4A4V_1|Chains... at 100%
4a4wRCSB PDB    PDBbind287aa, >4A4W_1|Chains... at 100%
4jazRCSB PDB    PDBbind287aa, >4JAZ_1|Chains... at 100%
4prgRCSB PDB    PDBbind270aa, >4PRG_1|Chains... at 100%
4r06RCSB PDB    PDBbind273aa, >4R06_1|Chains... at 100%
4xtaRCSB PDB    PDBbind278aa, >4XTA_1|Chains... at 100%
4xuhRCSB PDB    PDBbind278aa, >4XUH_1|Chains... at 100%
4xumRCSB PDB    PDBbind278aa, >4XUM_1|Chains... at 100%
4y29RCSB PDB    PDBbind269aa, >4Y29_1|Chain... at 100%
5f9bRCSB PDB    PDBbind287aa, >5F9B_1|Chains... at 100%
5lsgRCSB PDB    PDBbind304aa, >5LSG_1|Chains... *
5u5lRCSB PDB    PDBbind273aa, >5U5L_1|Chains... at 100%
6an1RCSB PDB    PDBbind286aa, >6AN1_1|Chains... at 100%
6c5qRCSB PDB    PDBbind281aa, >6C5Q_1|Chain... at 100%
6c5tRCSB PDB    PDBbind276aa, >6C5T_1|Chain... at 99%
6o68RCSB PDB    PDBbind275aa, >6O68_1|Chains... at 100%
6md4RCSB PDB    PDBbind275aa, >6MD4_1|Chains... at 100%
6md0RCSB PDB    PDBbind275aa, >6MD0_1|Chains... at 100%
6fzgRCSB PDB    PDBbind276aa, >6FZG_1|Chain... at 99%
6dgrRCSB PDB    PDBbind297aa, >6DGR_1|Chains... at 95%
6dgqRCSB PDB    PDBbind276aa, >6DGQ_1|Chains... at 99%
6dgoRCSB PDB    PDBbind275aa, >6DGO_1|Chains... at 100%
6dglRCSB PDB    PDBbind276aa, >6DGL_1|Chains... at 99%
6aviRCSB PDB    PDBbind276aa, >6AVI_1|Chains... at 99%
5ugmRCSB PDB    PDBbind271aa, >5UGM_1|Chains... at 100%
6dhaRCSB PDB    PDBbind271aa, >6DHA_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 ID3r8i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePeroxisome proliferator-activated receptor gamma
Ligand NameXCX
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=4.5uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 37-54
Ligand Properties
Formula C26H34N2O4
Molecular Weight 438.559
Exact Mass 438.252
No. of atoms 66
No. of bonds 68
Polar Surface Area 75.8
LOGP Value 8.09      (Computed with XLOGP3)
6.09      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 6
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): P37231  
Entrez Gene IDNCBI Entrez Gene ID: 5468  
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