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Related entries of code: 1a85
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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%
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 ID1a85
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namematrix metalloproteinase 8
Ligand Name0DY
EC.Number E.C.3.4.24.34
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=30uM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference Protein Sci. v7 pp. 1303-9, 1998
Ligand Properties
Formula C18H27N5O5
Molecular Weight 393.437
Exact Mass 393.201
No. of atoms 55
No. of bonds 55
Polar Surface Area 176.64
LOGP Value -0.74      (Computed with XLOGP3)
1.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 1
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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