PDB entry 4h49

View 4h49 on RCSB PDB site
Description: Crystal structure of the catalytic domain of MMP-12 in complex with a twin inhibitor.
Class: hydrolase/hydrolase inhibitor
Keywords: divalent inhibitor, carboxylic twin inhibitor, Dimerisation, METZINCIN, Zinc protease, hydrolase-hydrolase inhibitor complex
Deposited on 2012-09-17, released 2013-04-24
The last revision prior to the SCOPe 2.08 freeze date was dated 2015-08-12, with a file datestamp of 2015-08-07.
Experiment type: XRAY
Resolution: 2.16 Å
R-factor: N/A
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Macrophage metalloelastase
    Species: Homo sapiens [TaxId:9606]
    Gene: HME, MMP12
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39900 (1-158)
      • expression tag (0)
      • engineered mutation (66)
    Domains in SCOPe 2.08: d4h49a1, d4h49a2
  • Chain 'B':
    Compound: Macrophage metalloelastase
    Species: Homo sapiens [TaxId:9606]
    Gene: HME, MMP12
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39900 (1-158)
      • expression tag (0)
      • engineered mutation (66)
    Domains in SCOPe 2.08: d4h49b1, d4h49b2
  • Chain 'C':
    Compound: Macrophage metalloelastase
    Species: Homo sapiens [TaxId:9606]
    Gene: HME, MMP12
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39900 (Start-158)
      • engineered mutation (66)
    Domains in SCOPe 2.08: d4h49c_
  • Chain 'D':
    Compound: Macrophage metalloelastase
    Species: Homo sapiens [TaxId:9606]
    Gene: HME, MMP12
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39900 (1-158)
      • expression tag (0)
      • engineered mutation (66)
    Domains in SCOPe 2.08: d4h49d1, d4h49d2
  • Heterogens: ZN, CA, PGO, DMS, PEG, L29, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4h49A (A:)
    mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
    rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavheighsl
    glghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4h49B (B:)
    mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
    rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavheighsl
    glghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4h49C (C:)
    mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
    rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavheighsl
    glghssdpkavmfptykyvdintfrlsaddirgiqslyg
    

    Sequence, based on observed residues (ATOM records): (download)
    >4h49C (C:)
    vwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarga
    hgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavheighslglg
    hssdpkavmfptykyvdintfrlsaddirgiqslyg
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4h49D (D:)
    mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
    rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavheighsl
    glghssdpkavmfptykyvdintfrlsaddirgiqslyg