PDB entry 2aei

View 2aei on RCSB PDB site
Description: Crystal structure of a ternary complex of factor VIIa/tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl]oxy]-benzoic acid
Class: hydrolase
Keywords: blood coagulation, serine protease, thrombosis, gla, pyridine, benzamidine, tissue factor, cofactor, enzyme inhibitor complex, hydrolase
Deposited on 2005-07-22, released 2006-08-01
The last revision prior to the SCOPe 2.01 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 2.52 Å
R-factor: 0.199
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'H':
    Compound: Coagulation factor VII
    Species: Homo sapiens [TaxId:9606]
    Gene: F7
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d2aeih_
  • Chain 'L':
    Compound: Coagulation factor VII
    Species: Homo sapiens [TaxId:9606]
    Gene: F7
    Database cross-references and differences (RAF-indexed):
    • Uniprot P08709 (0-End)
      • modified residue (5-6)
      • modified residue (13)
      • modified residue (15)
      • modified residue (18-19)
      • modified residue (24-25)
      • modified residue (28)
      • modified residue (34)
    Domains in SCOPe 2.01: d2aeil1, d2aeil2, d2aeil3
  • Chain 'T':
    Compound: tissue factor
    Species: Homo sapiens [TaxId:9606]
    Gene: F3
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d2aeit1, d2aeit2
  • Heterogens: CA, CAC, 03R, HOH

PDB Chain Sequences:

  • Chain 'H':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2aeiH (H:)
    ivggkvcpkgecpwqvlllvngaqlcggtlintiwvvsaahcfdkiknwrnliavlgehd
    lsehdgdeqsrrvaqviipstyvpgttnhdiallrlhqpvvltdhvvplclpertfsert
    lafvrfslvsgwgqlldrgatalelmvlnvprlmtqdclqqsrkvgdspniteymfcagy
    sdgskdsckgdsggphathyrgtwyltgivswgqgcatvghfgvytrvsqyiewlqklmr
    seprpgvllrapfp
    

  • Chain 'L':
    Sequence, based on SEQRES records: (download)
    >2aeiL (L:)
    anafleelrpgslereckeeqcsfeeareifkdaertklfwisysdgdqcasspcqnggs
    ckdqlqsyicfclpafegrncethkddqlicvnenggceqycsdhtgtkrscrchegysl
    ladgvsctptveypcgkipilekrnaskpqgr
    

    Sequence, based on observed residues (ATOM records): (download)
    >2aeiL (L:)
    anafleelrpgslereckeeqcsfeeareifkdaertklfwisysdgdqcasspcqnggs
    ckdqlqsyicfclpafegrncethkddqlicvnenggceqycsdhtgtkrscrchegysl
    ladgvsctptveypcgkipile
    

  • Chain 'T':
    Sequence, based on SEQRES records: (download)
    >2aeiT (T:)
    sgttntvaaynltwkstnfktilewepkpvnqvytvqistksgdwkskcfyttdtecdlt
    deivkdvkqtylarvfsypagnvestgsageplyenspeftpyletnlgqptiqsfeqvg
    tkvnvtvedertlvrrnntflslrdvfgkdliytlyywkssssgkktaktntneflidvd
    kgenycfsvqavipsrtvnrkstdspvecmg
    

    Sequence, based on observed residues (ATOM records): (download)
    >2aeiT (T:)
    ntvaaynltwkstnfktilewepkpvnqvytvqistksgdwkskcfyttdtecdltdeiv
    kdvkqtylarvfsypageplyenspeftpyletnlgqptiqsfeqvgtkvnvtvedertl
    vrrnntflslrdvfgkdliytlyywksgkktaktntneflidvdkgenycfsvqavipsr
    tvnrkstdspvecmg