Browse entries in the PDBbind-CN Database

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Related entries of code: 3adu
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%
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%
3r8iRCSB PDB    PDBbind287aa, >3R8I_1|Chains... 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 ID3adu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman PPARgamma ligand-binding domain
Ligand NameMYI
EC.Number E.C.-.-.-.-
Resolution 2.77(Å)
Affinity (Kd/Ki/IC50)Kd=72.8uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Embo J. Vol. 29: pp. 3395-3407
Ligand Properties
Formula C11H11NO3
Molecular Weight 205.210
Exact Mass 205.074
No. of atoms 26
No. of bonds 27
Polar Surface Area 62.32
LOGP Value 2.93      (Computed with XLOGP3)
1.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
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): P37231  
Entrez Gene IDNCBI Entrez Gene ID: 5468  
ASDInformation of known allosteric effects of PDB entries
 
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