PDB entry 7aqg

View 7aqg on RCSB PDB site
Description: Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F)
Class: hydrolase
Keywords: plasminogen activator inhibitor-1, PAI-1, PAI-1-W175F, serpin, protease inhibitor, serine protease inhibitor, small molecule, antibody fragments, nanobodies, protein complex, HYDROLASE
Deposited on 2020-10-21, released 2021-02-24
The last revision prior to the SCOPe 2.07 freeze date was dated 2021-02-24, with a file datestamp of 2021-02-19.
Experiment type: XRAY
Resolution: 2.27 Å
R-factor: N/A
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Plasminogen activator inhibitor 1
    Species: Homo sapiens [TaxId:9606]
    Gene: SERPINE1, PAI1, PLANH1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05121 (Start-378)
      • engineered mutation (174)
    Domains in SCOPe 2.07: d7aqga_
  • Chain 'B':
    Compound: VHH-2g-42 (Nb42)
    Species: Vicugna pacos [TaxId:30538]
    Database cross-references and differences (RAF-indexed):
    • PDB 7AQG (0-End)
    Domains in SCOPe 2.07: d7aqgb_
  • Chain 'C':
    Compound: VHH-2w-64 (Nb64)
    Species: Vicugna pacos [TaxId:30538]
    Database cross-references and differences (RAF-indexed):
    • PDB 7AQG (0-120)
    Domains in SCOPe 2.07: d7aqgc_
  • Heterogens: RV2, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >7aqgA (A:)
vhhppsyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqa
amgfkiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrst
vkqvdfseverarfiindwvkthtkgmisnllgkgavdqltrlvlvnalyfngqfktpfp
dssthrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaap
yekevplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfr
qfqadftslsdqeplhvaqalqkvkievnesgtvassstavivsarmapeeiimdrpflf
vvrhnptgtvlfmgqvmep

    Sequence, based on observed residues (ATOM records): (download) 
    >7aqgA (A:)
ppsyvahlasdfgvrvfqqvaqaskdrnvvfspygvasvlamlqlttggetqqqiqaamg
fkiddkgmapalrhlykelmgpwnkdeisttdaifvqrdlklvqgfmphffrlfrstvkq
vdfseverarfiindwvkthtkgmisnllgkgavdqltrlvlvnalyfngqfktpfpdss
thrrlfhksdgstvsvpmmaqtnkfnytefttpdghyydilelpyhgdtlsmfiaapyek
evplsaltnilsaqlishwkgnmtrlprllvlpkfsletevdlrkplenlgmtdmfrqfq
adftslsdqeplhvaqalqkvkievnesgtvpeeiimdrpflfvvrhnptgtvlfmgqvm
ep

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >7aqgB (B:)
qvqlvesggglvqpggrlrlscaasgftfrtyamqwyrqspgterelvaaisniggvtdy
gdsvkgrftisrdnakttvylemnslkpedtatyycsavrlpqrywgrgtqvtvss

    Sequence, based on observed residues (ATOM records): (download) 
    >7aqgB (B:)
qvqlvesggglvqpggrlrlscaasgftfrtyamqwyrqsgterelvaaisniggvtdyg
dsvkgrftisrdnakttvylemnslkpedtatyycsavrlpqrywgrgtqvtvs

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >7aqgC (C:)
qvqlvesggglvqaggslrlscaasgftfddysiawfrqapgkeregvscisssdgsayy
adsvkgrftissdnakntvylqmnslkpedtavyycaavwarvcrnpydywgqgtqvtvs
s