PDB entry 5i4o

View 5i4o on RCSB PDB site
Description: Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate zinc-chelator water-soluble inhibitor (DC28).
Class: hydrolase
Keywords: Inhibitor, complex, glycoconjugate, metalloprotease, hydrolase
Deposited on 2016-02-12, 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: 2.05 Å
R-factor: N/A
AEROSPACI score: 0.29 (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)
      • conflict (66)
      • conflict (114)
    Domains in SCOPe 2.07: d5i4oa_
  • Chain 'B':
    Compound: Macrophage metalloelastase
    Species: Homo sapiens [TaxId:9606]
    Gene: MMP12, HME
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39900 (Start-158)
      • conflict (66)
      • conflict (114)
    Domains in SCOPe 2.07: d5i4ob_
  • Chain 'C':
    Compound: Macrophage metalloelastase
    Species: Homo sapiens [TaxId:9606]
    Gene: MMP12, HME
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39900 (Start-158)
      • conflict (66)
      • conflict (114)
    Domains in SCOPe 2.07: d5i4oc_
  • Chain 'D':
    Compound: Macrophage metalloelastase
    Species: Homo sapiens [TaxId:9606]
    Gene: MMP12, HME
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39900 (Start-158)
      • conflict (66)
      • conflict (114)
    Domains in SCOPe 2.07: d5i4od_
  • Heterogens: V28, ZN, CA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5i4oA (A:)
    mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
    rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighsl
    glghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i4oA (A:)
    vwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarga
    hgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighslglg
    hssdpkavmfptykyvdintfrlsaddirgiqslyg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5i4oB (B:)
    mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
    rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighsl
    glghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i4oB (B:)
    vwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarga
    hgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighslglg
    hssdpkavmfptykyvdintfrlsaddirgiqslyg
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5i4oC (C:)
    mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
    rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighsl
    glghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i4oC (C:)
    vwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarga
    hgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighslglg
    hssdpkavmfptykyvdintfrlsaddirgiqslyg
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5i4oD (D:)
    mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
    rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighsl
    glghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i4oD (D:)
    vwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarga
    hgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighslglg
    hssdpkavmfptykyvdintfrlsaddirgiqslyg