PDB entry 5i3m

View 5i3m on RCSB PDB site
Description: Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated thiourea-linked carboxylate zinc-chelator water-soluble inhibitor (DC31).
Class: hydrolase
Keywords: Inhibitor, complex, glycoconjugate, metalloprotease, hydrolase
Deposited on 2016-02-10, 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: 2.17 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: MMP12, HME
    Database cross-references and differences (RAF-indexed):
    • Uniprot P39900 (Start-158)
      • engineered mutation (66)
      • engineered mutation (114)
    Domains in SCOPe 2.07: d5i3ma_
  • 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: d5i3mb_
  • 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: d5i3mc_
  • 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: d5i3md_
  • Heterogens: 67F, ZN, CA, DMS, PGO, DIO, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5i3mA (A:)
mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighsl
glghssdpkavmfptykyvdintfrlsaddirgiqslyg

    Sequence, based on observed residues (ATOM records): (download) 
    >5i3mA (A:)
pvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarg
ahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighslgl
ghssdpkavmfptykyvdintfrlsaddirgiqslyg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5i3mB (B:)
mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighsl
glghssdpkavmfptykyvdintfrlsaddirgiqslyg

    Sequence, based on observed residues (ATOM records): (download) 
    >5i3mB (B:)
pvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarg
ahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighslgl
ghssdpkavmfptykyvdintfrlsaddirgiqslyg

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5i3mC (C:)
mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighsl
glghssdpkavmfptykyvdintfrlsaddirgiqslyg

    Sequence, based on observed residues (ATOM records): (download) 
    >5i3mC (C:)
pvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarg
ahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighslgl
ghssdpkavmfptykyvdintfrlsaddirgiqslyg

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >5i3mD (D:)
mgpvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfa
rgahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighsl
glghssdpkavmfptykyvdintfrlsaddirgiqslyg

    Sequence, based on observed residues (ATOM records): (download) 
    >5i3mD (D:)
pvwrkhyityrinnytpdmnredvdyairkafqvwsnvtplkfskintgmadilvvfarg
ahgddhafdgkggilahafgpgsgiggdahfdedefwtthsggtnlfltavhqighslgl
ghssdpkavmfptykyvdintfrlsaddirgiqslyg