PDB entry 4x0t

View 4x0t on RCSB PDB site
Description: Structure ALDH7A1 inactivated by 4-diethylaminobenzaldehyde and complexed with NAD+
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: ALDEHYDE DEHYDROGENASE, OXIDOREDUCTASE, LYSINE CATABOLISM, oxidoreductase-oxidoreductase inhibitor complex
Deposited on 2014-11-23, released 2015-01-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-22, with a file datestamp of 2017-11-17.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: N/A
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Alpha-aminoadipic semialdehyde dehydrogenase
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH7A1, ATQ1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4x0ta_
  • Chain 'B':
    Compound: Alpha-aminoadipic semialdehyde dehydrogenase
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH7A1, ATQ1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4x0tb_
  • Chain 'C':
    Compound: Alpha-aminoadipic semialdehyde dehydrogenase
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH7A1, ATQ1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4x0tc_
  • Chain 'D':
    Compound: Alpha-aminoadipic semialdehyde dehydrogenase
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH7A1, ATQ1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4x0td_
  • Heterogens: NAD, 3W9, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4x0tA (A:)
    ghmstllinqpqyawlkelglreenegvyngswggrgevittycpannepiarvrqasva
    dyeetvkkareawkiwadipapkrgeivrqigdalrekiqvlgslvslemgkilvegvge
    vqeyvdicdyavglsrmiggpilpsersghalieqwnpvglvgiitafnfpvavygwnna
    iamicgnvclwkgapttslisvavtkiiakvlednklpgaicsltcggadigtamakder
    vnllsftgstqvgkqvglmvqerfgrsllelggnnaiiafedadlslvvpsalfaavgta
    gqrcttarrlfihesihdevvnrlkkayaqirvgnpwdpnvlygplhtkqavsmflgave
    eakkeggtvvyggkvmdrpgnyveptivtglghdasiahtetfapilyvfkfkneeevfa
    wnnevkqglsssiftkdlgrifrwlgpkgsdcgivnvniptsgaeiggafggekhtgggr
    esgsdawkqymrrstctinyskdlplaqgikfq
    

    Sequence, based on observed residues (ATOM records): (download)
    >4x0tA (A:)
    tllinqpqyawlkelglreenegvyngswggrgevittycpannepiarvrqasvadyee
    tvkkareawkiwadipapkrgeivrqigdalrekiqvlgslvslemgkilvegvgevqey
    vdicdyavglsrmiggpilpsersghalieqwnpvglvgiitafnfpvavygwnnaiami
    cgnvclwkgapttslisvavtkiiakvlednklpgaicsltcggadigtamakdervnll
    sftgstqvgkqvglmvqerfgrsllelggnnaiiafedadlslvvpsalfaavgtagqrc
    ttarrlfihesihdevvnrlkkayaqirvgnpwdpnvlygplhtkqavsmflgaveeakk
    eggtvvyggkvmdrpgnyveptivtglghdasiahtetfapilyvfkfkneeevfawnne
    vkqglsssiftkdlgrifrwlgpkgsdcgivnvniptsgaeiggafggekhtgggresgs
    dawkqymrrstctinyskdlplaqgikfq
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4x0tB (B:)
    ghmstllinqpqyawlkelglreenegvyngswggrgevittycpannepiarvrqasva
    dyeetvkkareawkiwadipapkrgeivrqigdalrekiqvlgslvslemgkilvegvge
    vqeyvdicdyavglsrmiggpilpsersghalieqwnpvglvgiitafnfpvavygwnna
    iamicgnvclwkgapttslisvavtkiiakvlednklpgaicsltcggadigtamakder
    vnllsftgstqvgkqvglmvqerfgrsllelggnnaiiafedadlslvvpsalfaavgta
    gqrcttarrlfihesihdevvnrlkkayaqirvgnpwdpnvlygplhtkqavsmflgave
    eakkeggtvvyggkvmdrpgnyveptivtglghdasiahtetfapilyvfkfkneeevfa
    wnnevkqglsssiftkdlgrifrwlgpkgsdcgivnvniptsgaeiggafggekhtgggr
    esgsdawkqymrrstctinyskdlplaqgikfq
    

    Sequence, based on observed residues (ATOM records): (download)
    >4x0tB (B:)
    tllinqpqyawlkelglreenegvyngswggrgevittycpannepiarvrqasvadyee
    tvkkareawkiwadipapkrgeivrqigdalrekiqvlgslvslemgkilvegvgevqey
    vdicdyavglsrmiggpilpsersghalieqwnpvglvgiitafnfpvavygwnnaiami
    cgnvclwkgapttslisvavtkiiakvlednklpgaicsltcggadigtamakdervnll
    sftgstqvgkqvglmvqerfgrsllelggnnaiiafedadlslvvpsalfaavgtagqrc
    ttarrlfihesihdevvnrlkkayaqirvgnpwdpnvlygplhtkqavsmflgaveeakk
    eggtvvyggkvmdrpgnyveptivtglghdasiahtetfapilyvfkfkneeevfawnne
    vkqglsssiftkdlgrifrwlgpkgsdcgivnvniptsgaeiggafggekhtgggresgs
    dawkqymrrstctinyskdlplaqgikfq
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4x0tC (C:)
    ghmstllinqpqyawlkelglreenegvyngswggrgevittycpannepiarvrqasva
    dyeetvkkareawkiwadipapkrgeivrqigdalrekiqvlgslvslemgkilvegvge
    vqeyvdicdyavglsrmiggpilpsersghalieqwnpvglvgiitafnfpvavygwnna
    iamicgnvclwkgapttslisvavtkiiakvlednklpgaicsltcggadigtamakder
    vnllsftgstqvgkqvglmvqerfgrsllelggnnaiiafedadlslvvpsalfaavgta
    gqrcttarrlfihesihdevvnrlkkayaqirvgnpwdpnvlygplhtkqavsmflgave
    eakkeggtvvyggkvmdrpgnyveptivtglghdasiahtetfapilyvfkfkneeevfa
    wnnevkqglsssiftkdlgrifrwlgpkgsdcgivnvniptsgaeiggafggekhtgggr
    esgsdawkqymrrstctinyskdlplaqgikfq
    

    Sequence, based on observed residues (ATOM records): (download)
    >4x0tC (C:)
    tllinqpqyawlkelglreenegvyngswggrgevittycpannepiarvrqasvadyee
    tvkkareawkiwadipapkrgeivrqigdalrekiqvlgslvslemgkilvegvgevqey
    vdicdyavglsrmiggpilpsersghalieqwnpvglvgiitafnfpvavygwnnaiami
    cgnvclwkgapttslisvavtkiiakvlednklpgaicsltcggadigtamakdervnll
    sftgstqvgkqvglmvqerfgrsllelggnnaiiafedadlslvvpsalfaavgtagqrc
    ttarrlfihesihdevvnrlkkayaqirvgnpwdpnvlygplhtkqavsmflgaveeakk
    eggtvvyggkvmdrpgnyveptivtglghdasiahtetfapilyvfkfkneeevfawnne
    vkqglsssiftkdlgrifrwlgpkgsdcgivnvniptsgaeiggafggekhtgggresgs
    dawkqymrrstctinyskdlplaqgikf
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4x0tD (D:)
    ghmstllinqpqyawlkelglreenegvyngswggrgevittycpannepiarvrqasva
    dyeetvkkareawkiwadipapkrgeivrqigdalrekiqvlgslvslemgkilvegvge
    vqeyvdicdyavglsrmiggpilpsersghalieqwnpvglvgiitafnfpvavygwnna
    iamicgnvclwkgapttslisvavtkiiakvlednklpgaicsltcggadigtamakder
    vnllsftgstqvgkqvglmvqerfgrsllelggnnaiiafedadlslvvpsalfaavgta
    gqrcttarrlfihesihdevvnrlkkayaqirvgnpwdpnvlygplhtkqavsmflgave
    eakkeggtvvyggkvmdrpgnyveptivtglghdasiahtetfapilyvfkfkneeevfa
    wnnevkqglsssiftkdlgrifrwlgpkgsdcgivnvniptsgaeiggafggekhtgggr
    esgsdawkqymrrstctinyskdlplaqgikfq
    

    Sequence, based on observed residues (ATOM records): (download)
    >4x0tD (D:)
    tllinqpqyawlkelglreenegvyngswggrgevittycpannepiarvrqasvadyee
    tvkkareawkiwadipapkrgeivrqigdalrekiqvlgslvslemgkilvegvgevqey
    vdicdyavglsrmiggpilpsersghalieqwnpvglvgiitafnfpvavygwnnaiami
    cgnvclwkgapttslisvavtkiiakvlednklpgaicsltcggadigtamakdervnll
    sftgstqvgkqvglmvqerfgrsllelggnnaiiafedadlslvvpsalfaavgtagqrc
    ttarrlfihesihdevvnrlkkayaqirvgnpwdpnvlygplhtkqavsmflgaveeakk
    eggtvvyggkvmdrpgnyveptivtglghdasiahtetfapilyvfkfkneeevfawnne
    vkqglsssiftkdlgrifrwlgpkgsdcgivnvniptsgaeiggafggekhtgggresgs
    dawkqymrrstctinyskdlplaqgikfq