PDB entry 3kej

View 3kej on RCSB PDB site
Description: Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound
Class: hydrolase/hydrolase inhibitor
Keywords: S1' inhibitor, selective MMP-13 inhibitor, S1' specificity pocket, no contact to Zn, Collagen degradation, Disease mutation, Disulfide bond, Extracellular matrix, Glycoprotein, Hydrolase, Metal-binding, Metalloprotease, Protease, Secreted, Zymogen, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2009-10-26, released 2010-11-10
The last revision prior to the SCOPe 2.07 freeze date was dated 2010-11-10, with a file datestamp of 2010-11-05.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.186
AEROSPACI score: 0.38 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: collagenase 3
    Species: Homo sapiens [TaxId:9606]
    Gene: MMP13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3keja_
  • Chain 'B':
    Compound: collagenase 3
    Species: Homo sapiens [TaxId:9606]
    Gene: MMP13
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3kejb_
  • Heterogens: ZN, CA, 3EJ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3kejA (A:)
    ynvfprtlkwskmnltyrivnytpdmthsevekafkkafkvwsdvtplnftrlhdgiadi
    misfgikehgdfypfdgpsgllahafppgpnyggdahfdddetwtssskgynlflvaahe
    fghslgldhskdpgalmfpiytytgkshfmlpdddvqgiqslygpgd
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kejA (A:)
    ynvfprtlkwskmnltyrivnytpdmthsevekafkkafkvwsdvtplnftrlhdgiadi
    misfgikehgdfypfdgpsgllahafppgpnyggdahfdddetwtssskgynlflvaahe
    fghslgldhskdpgalmfpiytytgkshfmlpdddvqgiqsly
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3kejB (B:)
    ynvfprtlkwskmnltyrivnytpdmthsevekafkkafkvwsdvtplnftrlhdgiadi
    misfgikehgdfypfdgpsgllahafppgpnyggdahfdddetwtssskgynlflvaahe
    fghslgldhskdpgalmfpiytytgkshfmlpdddvqgiqslygpgd
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kejB (B:)
    tlkwskmnltyrivnytpdmthsevekafkkafkvwsdvtplnftrlhdgiadimisfgi
    kehgdfypfdgpsgllahafppgpnyggdahfdddetwtssskgynlflvaahefghslg
    ldhskdpgalmfpiytytgkshfmlpdddvqgiqsly