Browse entries in the PDBbind-CN Database

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Related entries of code: 1jj9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a85RCSB PDB    PDBbind158aa, >1A85_1|Chain... at 100%
1a86RCSB PDB    PDBbind158aa, >1A86_1|Chain... at 100%
1bzsRCSB PDB    PDBbind165aa, >1BZS_1|Chain... *
1jaoRCSB PDB    PDBbind163aa, >1JAO_1|Chain... at 100%
1jaqRCSB PDB    PDBbind163aa, >1JAQ_1|Chain... at 100%
1jh1RCSB PDB    PDBbind158aa, >1JH1_1|Chain... at 100%
1mncRCSB PDB    PDBbind163aa, >1MNC_1|Chain... at 97%
1zp5RCSB PDB    PDBbind163aa, >1ZP5_1|Chain... at 100%
1zs0RCSB PDB    PDBbind163aa, >1ZS0_1|Chain... at 100%
1zvxRCSB PDB    PDBbind163aa, >1ZVX_1|Chain... at 100%
3dngRCSB PDB    PDBbind163aa, >3DNG_1|Chains... at 100%
3dpeRCSB PDB    PDBbind163aa, >3DPE_1|Chain... at 100%
3dpfRCSB PDB    PDBbind163aa, >3DPF_1|Chains... at 100%
3tt4RCSB PDB    PDBbind159aa, >3TT4_1|Chain... at 100%
5h8xRCSB PDB    PDBbind163aa, >5H8X_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 ID1jj9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namematrix metalloproteinase 8
Ligand NameBBT
EC.Number E.C.3.4.24.34
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=1.7uM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v276 pp. 17405-12, 2001
Ligand Properties
Formula C17H22N3O4
Molecular Weight 332.374
Exact Mass 332.161
No. of atoms 46
No. of bonds 48
Polar Surface Area 99.94
LOGP Value 0.91      (Computed with XLOGP3)
1.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): P22894  
Entrez Gene IDNCBI Entrez Gene ID: 4317  
ASDInformation of known allosteric effects of PDB entries

 
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