PDB entry 4fqf

View 4fqf on RCSB PDB site
Description: Crystal structure of a thionitrate intermediate of human aldehyde dehydrogenase-2
Class: oxidoreductase
Keywords: Rossmann Fold, oxidoreductase, aldehydes, esters, organic nitrates, NAD, oxidoreductase-intermediate complex
Deposited on 2012-06-25, released 2012-09-26
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-11-21, with a file datestamp of 2012-11-16.
Experiment type: XRAY
Resolution: 2.28 Å
R-factor: 0.172
AEROSPACI score: 0.41 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4fqfa_
  • Chain 'B':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4fqfb_
  • Chain 'C':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4fqfc_
  • Chain 'D':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4fqfd_
  • Heterogens: 2NO, NAD, MG, URE, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4fqfA (A:)
saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
vaftgsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
cccagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
glqaytevktvtvkvpqkns

    Sequence, based on observed residues (ATOM records): (download) 
    >4fqfA (A:)
qqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaaraafql
gspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvlkclryy
agwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatgnvvvmk
vaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgsteigrv
iqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccagsrtfvqe
diydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegakllcggg
iaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyglaaavf
tkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqaytevktvt
vkvpqkns

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4fqfB (B:)
saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
vaftgsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
cccagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
glqaytevktvtvkvpqkns

    Sequence, based on observed residues (ATOM records): (download) 
    >4fqfB (B:)
vpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaar
aafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvlk
clryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatgn
vvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgst
eigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccagsr
tfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegakl
lcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstygl
aaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayte
vktvtvkvpqkns

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4fqfC (C:)
saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
vaftgsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
cccagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
glqaytevktvtvkvpqkns

    Sequence, based on observed residues (ATOM records): (download) 
    >4fqfC (C:)
vpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaar
aafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvlk
clryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatgn
vvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgst
eigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccagsr
tfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegakl
lcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstygl
aaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayte
vktvtvkvpqkns

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4fqfD (D:)
saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
vaftgsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
cccagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
glqaytevktvtvkvpqkns

    Sequence, based on observed residues (ATOM records): (download) 
    >4fqfD (D:)
vpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaar
aafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvlk
clryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatgn
vvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgst
eigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccagsr
tfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegakl
lcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstygl
aaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayte
vktvtvkvpqkns