Browse entries in the PDBbind-CN Database

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Related entries of code: 6nji
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mkdRCSB PDB    PDBbind328aa, >1MKD_1|Chains... at 99%
1oynRCSB PDB    PDBbind360aa, >1OYN_1|Chains... at 100%
1q9mRCSB PDB    PDBbind360aa, >1Q9M_1|Chains... at 100%
1xomRCSB PDB    PDBbind349aa, >1XOM_1|Chains... at 94%
1xonRCSB PDB    PDBbind349aa, >1XON_1|Chains... at 94%
1xoqRCSB PDB    PDBbind349aa, >1XOQ_1|Chains... at 94%
1xorRCSB PDB    PDBbind349aa, >1XOR_1|Chains... at 94%
1y2bRCSB PDB    PDBbind349aa, >1Y2B_1|Chains... at 94%
1y2cRCSB PDB    PDBbind349aa, >1Y2C_1|Chains... at 94%
1y2dRCSB PDB    PDBbind349aa, >1Y2D_1|Chains... at 94%
1y2eRCSB PDB    PDBbind349aa, >1Y2E_1|Chains... at 94%
1y2kRCSB PDB    PDBbind349aa, >1Y2K_1|Chains... at 94%
1zknRCSB PDB    PDBbind334aa, >1ZKN_1|Chains... at 100%
2fm0RCSB PDB    PDBbind361aa, >2FM0_1|Chains... at 100%
2fm5RCSB PDB    PDBbind361aa, >2FM5_1|Chains... at 100%
2qynRCSB PDB    PDBbind328aa, >2QYN_1|Chains... at 100%
3g4gRCSB PDB    PDBbind421aa, >3G4G_1|Chains... at 95%
3g4iRCSB PDB    PDBbind381aa, >3G4I_1|Chains... at 97%
3g4kRCSB PDB    PDBbind381aa, >3G4K_1|Chains... at 97%
3g4lRCSB PDB    PDBbind381aa, >3G4L_1|Chains... at 97%
3g58RCSB PDB    PDBbind381aa, >3G58_1|Chains... at 97%
3iadRCSB PDB    PDBbind377aa, >3IAD_1|Chains... at 91%
3sl4RCSB PDB    PDBbind361aa, >3SL4_1|Chains... at 100%
3sl5RCSB PDB    PDBbind359aa, >3SL5_1|Chains... at 99%
3sl8RCSB PDB    PDBbind361aa, >3SL8_1|Chains... at 100%
3v9bRCSB PDB    PDBbind360aa, >3V9B_1|Chains... at 100%
4wcuRCSB PDB    PDBbind359aa, >4WCU_1|Chains... at 100%
5k1iRCSB PDB    PDBbind326aa, >5K1I_1|Chains... at 100%
5k32RCSB PDB    PDBbind325aa, >5K32_1|Chains... at 99%
5tkbRCSB PDB    PDBbind381aa, >5TKB_1|Chains... at 97%
5wqaRCSB PDB    PDBbind334aa, >5WQA_1|Chains... at 100%
6f6uRCSB PDB    PDBbind343aa, >6F6U_1|Chains... at 97%
6f8rRCSB PDB    PDBbind343aa, >6F8R_1|Chains... at 97%
6f8tRCSB PDB    PDBbind343aa, >6F8T_1|Chains... at 97%
6f8uRCSB PDB    PDBbind343aa, >6F8U_1|Chains... at 97%
6f8vRCSB PDB    PDBbind343aa, >6F8V_1|Chains... at 97%
6f8wRCSB PDB    PDBbind343aa, >6F8W_1|Chains... at 97%
6f8xRCSB PDB    PDBbind343aa, >6F8X_1|Chains... at 97%
6fdcRCSB PDB    PDBbind343aa, >6FDC_1|Chains... at 97%
6njjRCSB PDB    PDBbind370aa, >6NJJ_1|Chains... at 92%
6njhRCSB PDB    PDBbind370aa, >6NJH_1|Chains... at 92%
6inmRCSB PDB    PDBbind349aa, >6INM_1|Chains... at 94%
6indRCSB PDB    PDBbind349aa, >6IND_1|Chains... at 94%
6imtRCSB PDB    PDBbind349aa, >6IMT_1|Chains... at 94%
6imoRCSB PDB    PDBbind349aa, >6IMO_1|Chains... at 94%
6imrRCSB PDB    PDBbind349aa, >6IMR_1|Chains... at 94%
6imiRCSB PDB    PDBbind349aa, >6IMI_1|Chains... at 94%
6imdRCSB PDB    PDBbind349aa, >6IMD_1|Chains... at 94%
6imbRCSB PDB    PDBbind349aa, >6IMB_1|Chains... at 94%
6im6RCSB PDB    PDBbind349aa, >6IM6_1|Chains... at 94%
6ftwRCSB PDB    PDBbind364aa, >6FTW_1|Chains... at 98%
5wh6RCSB PDB    PDBbind507aa, >5WH6_1|Chains... *
5wh5RCSB PDB    PDBbind327aa, >5WH5_1|Chains... at 100%
6inkRCSB PDB    PDBbind349aa, >6INK_1|Chains... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6nji
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePDE4D7-S129 (wt) Catalytic Domain
Ligand NameKR4
EC.Number E.C.3.1.4.53
Resolution 2.45(Å)
Affinity (Kd/Ki/IC50)IC50=102nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 4884-4901
Ligand Properties
Formula C19H19ClN4O
Molecular Weight 354.833
Exact Mass 354.125
No. of atoms 44
No. of bonds 46
Polar Surface Area 70.93
LOGP Value 4.55      (Computed with XLOGP3)
4.11      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
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): Q08499  
Entrez Gene IDNCBI Entrez Gene ID: 5144  
ASDInformation of known allosteric effects of PDB entries
 
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