PDB entry 5i2z

View 5i2z on RCSB PDB site
Description: Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24).
Class: hydrolase
Keywords: Inhibitor, complex, glycoconjugate, metalloprotease, hydrolase
Deposited on 2016-02-09, released 2016-07-06
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-08-17, with a file datestamp of 2016-08-12.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Macrophage metalloelastase
    Species: Homo sapiens [TaxId:9606]
    Gene: MMP12, HME
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39900 (Start-158)
      • engineered mutation (66)
      • engineered mutation (114)
    Domains in SCOPe 2.07: d5i2za_
  • Chain 'B':
    Compound: Macrophage metalloelastase
    Species: Homo sapiens [TaxId:9606]
    Gene: MMP12, HME
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39900 (Start-158)
      • engineered mutation (66)
      • engineered mutation (114)
    Domains in SCOPe 2.07: d5i2zb_
  • Chain 'C':
    Compound: Macrophage metalloelastase
    Species: Homo sapiens [TaxId:9606]
    Gene: MMP12, HME
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39900 (Start-158)
      • engineered mutation (66)
      • engineered mutation (114)
    Domains in SCOPe 2.07: d5i2zc_
  • Chain 'D':
    Compound: Macrophage metalloelastase
    Species: Homo sapiens [TaxId:9606]
    Gene: MMP12, HME
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39900 (Start-158)
      • engineered mutation (66)
      • engineered mutation (114)
    Domains in SCOPe 2.07: d5i2zd_
  • Heterogens: V24, ZN, CA, PGO, EDO, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5i2zA (A:)
    mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
    rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighsl
    glghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i2zA (A:)
    pvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarg
    ahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighslgl
    ghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5i2zB (B:)
    mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
    rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighsl
    glghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i2zB (B:)
    pvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarg
    ahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighslgl
    ghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5i2zC (C:)
    mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
    rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighsl
    glghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i2zC (C:)
    pvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarg
    ahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighslgl
    ghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5i2zD (D:)
    mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
    rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighsl
    glghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i2zD (D:)
    vwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarga
    hgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighslglg
    hssdpkavmfptykyvdintfrlsaddirgiqslyg