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 2.08 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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