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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_A... at 100%
1jaoRCSB PDB    PDBbind163aa, >1jao_A... at 100%
1jaqRCSB PDB    PDBbind163aa, >1jaq_A... at 100%
1bzsRCSB PDB    PDBbind165aa, >1bzs_A... *
1jh1RCSB PDB    PDBbind158aa, >1jh1_A... at 100%
1jj9RCSB PDB    PDBbind163aa, >1jj9_A... at 100%
1mncRCSB PDB    PDBbind163aa, >1mnc_A... at 97%
1zp5RCSB PDB    PDBbind163aa, >1zp5_A... at 100%
1zs0RCSB PDB    PDBbind163aa, >1zs0_A... at 100%
1zvxRCSB PDB    PDBbind163aa, >1zvx_A... at 100%
3dngRCSB PDB    PDBbind163aa, >3dng_B... at 100%
3dpeRCSB PDB    PDBbind163aa, >3dpe_A... at 100%
3dpfRCSB PDB    PDBbind163aa, >3dpf_B... at 100%
3tt4RCSB PDB    PDBbind159aa, >3tt4_A... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1a30RCSB PDB    PDBbind3-mer
1a5gRCSB PDB    PDBbind3-mer
1a61RCSB PDB    PDBbind3-mer
1a86RCSB PDB    PDBbind3-mer
1at5RCSB PDB    PDBbind3-mer
1at6RCSB PDB    PDBbind3-mer
1b05RCSB PDB    PDBbind3-mer
1b0hRCSB PDB    PDBbind3-mer
1b1hRCSB PDB    PDBbind3-mer
1b2hRCSB PDB    PDBbind3-mer
1b32RCSB PDB    PDBbind3-mer
1b3fRCSB PDB    PDBbind3-mer
1b3gRCSB PDB    PDBbind3-mer
1b3hRCSB PDB    PDBbind3-mer
1b3lRCSB PDB    PDBbind3-mer
1b40RCSB PDB    PDBbind3-mer
1b46RCSB PDB    PDBbind3-mer
1b4hRCSB PDB    PDBbind3-mer
1b4zRCSB PDB    PDBbind3-mer
1b51RCSB PDB    PDBbind3-mer
1b52RCSB PDB    PDBbind3-mer
1b58RCSB PDB    PDBbind3-mer
1b5gRCSB PDB    PDBbind3-mer
1b5hRCSB PDB    PDBbind3-mer
1b5iRCSB PDB    PDBbind3-mer
1b5jRCSB PDB    PDBbind3-mer
1b6hRCSB PDB    PDBbind3-mer
1b7hRCSB PDB    PDBbind3-mer
1jaoRCSB PDB    PDBbind3-mer
1jaqRCSB PDB    PDBbind3-mer
1b9jRCSB PDB    PDBbind3-mer
1d6wRCSB PDB    PDBbind3-mer
1d9iRCSB PDB    PDBbind3-mer
1ettRCSB PDB    PDBbind3-mer
1eubRCSB PDB    PDBbind3-mer
1fpcRCSB PDB    PDBbind3-mer
1fwuRCSB PDB    PDBbind3-mer
1fwvRCSB PDB    PDBbind3-mer
1gmyRCSB PDB    PDBbind3-mer
1hkjRCSB PDB    PDBbind3-mer
1hkkRCSB PDB    PDBbind3-mer
1hkmRCSB PDB    PDBbind3-mer
1jetRCSB PDB    PDBbind3-mer
1jeuRCSB PDB    PDBbind3-mer
1jevRCSB PDB    PDBbind3-mer
1jlxRCSB PDB    PDBbind3-mer
1ke1RCSB PDB    PDBbind3-mer
1ke2RCSB PDB    PDBbind3-mer
1kjrRCSB PDB    PDBbind3-mer
1kugRCSB PDB    PDBbind3-mer
1kuiRCSB PDB    PDBbind3-mer
1kukRCSB PDB    PDBbind3-mer
1ll4RCSB PDB    PDBbind3-mer
1m7dRCSB PDB    PDBbind3-mer
1mfaRCSB PDB    PDBbind3-mer
1mfdRCSB PDB    PDBbind3-mer
1nu8RCSB PDB    PDBbind3-mer
1oggRCSB PDB    PDBbind3-mer
1os0RCSB PDB    PDBbind3-mer
1ux7RCSB PDB    PDBbind3-mer
1y3gRCSB PDB    PDBbind3-mer
1pphRCSB PDB    PDBbind3-mer
1qkaRCSB PDB    PDBbind3-mer
1qkbRCSB PDB    PDBbind3-mer
1thlRCSB PDB    PDBbind3-mer
1tlpRCSB PDB    PDBbind3-mer
1tmnRCSB PDB    PDBbind3-mer
1ur9RCSB PDB    PDBbind3-mer
1uz8RCSB PDB    PDBbind3-mer
1w3lRCSB PDB    PDBbind3-mer
2ajbRCSB PDB    PDBbind3-mer
2eukRCSB PDB    PDBbind3-mer
2eumRCSB PDB    PDBbind3-mer
2evlRCSB PDB    PDBbind3-mer
2olbRCSB PDB    PDBbind3-mer
2tmnRCSB PDB    PDBbind3-mer
2vxjRCSB PDB    PDBbind3-mer
2xdwRCSB PDB    PDBbind3-mer
3ap7RCSB PDB    PDBbind3-Mer
3chdRCSB PDB    PDBbind3-mer
3g19RCSB PDB    PDBbind3-mer
3mbpRCSB PDB    PDBbind3-mer
3rseRCSB PDB    PDBbind3-mer
3tcgRCSB PDB    PDBbind3-mer
4d2dRCSB PDB    PDBbind3-mer
4hxjRCSB PDB    PDBbind3-mer
4igqRCSB PDB    PDBbind3-mer
4je8RCSB PDB    PDBbind3-mer
5estRCSB PDB    PDBbind3-mer
7kmeRCSB PDB    PDBbind3-mer

Entry Information
PDB ID1a85
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namematrix metalloproteinase 8
Ligand Name3-mer
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 ReferenceProtein 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 likenessNo. 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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