Browse entries in the PDBbind-CN Database

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Related entries of code: 1jaq
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%
1jh1RCSB PDB    PDBbind158aa, >1JH1_1|Chain... at 100%
1jj9RCSB PDB    PDBbind163aa, >1JJ9_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 ID1jaq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namematrix metalloproteinase-8
Ligand Name01S
EC.Number E.C.3.4.24.34
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)Ki=33uM
Release Year1996
Protein/NA SequenceCheck fasta file
Primary Reference Eur.J.Biochem. v228 pp. 830-41, 1995
Ligand Properties
Formula C12H22N4O5
Molecular Weight 302.327
Exact Mass 302.159
No. of atoms 43
No. of bonds 42
Polar Surface Area 150.62
LOGP Value -1.09      (Computed with XLOGP3)
0.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 0
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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