PDB entry 4fr8

View 4fr8 on RCSB PDB site
Description: Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin
Class: Oxidoreductase/Oxidoreductase inhibitor
Keywords: Rossmann Fold, Oxidoreductase, Oxidoreductase-Oxidoreductase inhibitor complex
Deposited on 2012-06-26, released 2012-09-26
The last revision prior to the SCOPe 2.02 freeze date was dated 2012-11-21, with a file datestamp of 2012-11-16.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.134
AEROSPACI score: 0.47 (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):
  • Uniprot P05091 (Start-499)
    • engineered mutation (267)
    • engineered mutation (300)
    • engineered mutation (302)
• Chain 'B':
  Compound: aldehyde dehydrogenase, mitochondrial
  Species: Homo sapiens [TaxId:9606]
  Gene: ALDH2, ALDM
  Database cross-references and differences (RAF-indexed):
  • Uniprot P05091 (Start-499)
    • engineered mutation (267)
    • engineered mutation (300)
    • engineered mutation (302)
• Chain 'C':
  Compound: aldehyde dehydrogenase, mitochondrial
  Species: Homo sapiens [TaxId:9606]
  Gene: ALDH2, ALDM
  Database cross-references and differences (RAF-indexed):
  • Uniprot P05091 (Start-499)
    • engineered mutation (267)
    • engineered mutation (300)
    • engineered mutation (302)
• Chain 'D':
  Compound: aldehyde dehydrogenase, mitochondrial
  Species: Homo sapiens [TaxId:9606]
  Gene: ALDH2, ALDM
  Database cross-references and differences (RAF-indexed):
  • Uniprot P05091 (Start-499)
    • engineered mutation (267)
    • engineered mutation (300)
    • engineered mutation (302)
• Chain 'E':
  Compound: aldehyde dehydrogenase, mitochondrial
  Species: Homo sapiens [TaxId:9606]
  Gene: ALDH2, ALDM
  Database cross-references and differences (RAF-indexed):
  • Uniprot P05091 (Start-499)
    • engineered mutation (267)
    • engineered mutation (300)
    • engineered mutation (302)
• Chain 'F':
  Compound: aldehyde dehydrogenase, mitochondrial
  Species: Homo sapiens [TaxId:9606]
  Gene: ALDH2, ALDM
  Database cross-references and differences (RAF-indexed):
  • Uniprot P05091 (Start-499)
    • engineered mutation (267)
    • engineered mutation (300)
    • engineered mutation (302)
• Chain 'G':
  Compound: aldehyde dehydrogenase, mitochondrial
  Species: Homo sapiens [TaxId:9606]
  Gene: ALDH2, ALDM
  Database cross-references and differences (RAF-indexed):
  • Uniprot P05091 (Start-499)
    • engineered mutation (267)
    • engineered mutation (300)
    • engineered mutation (302)
• Chain 'H':
  Compound: aldehyde dehydrogenase, mitochondrial
  Species: Homo sapiens [TaxId:9606]
  Gene: ALDH2, ALDM
  Database cross-references and differences (RAF-indexed):
  • Uniprot P05091 (Start-499)
    • engineered mutation (267)
    • engineered mutation (300)
    • engineered mutation (302)
  Domains in SCOPe 2.02: d4fr8h_
• Heterogens: TNG, NAD, MG, URE, NA, ADP, BTB, HOH

PDB Chain Sequences:

• Chain 'A':
  No sequence available.
  
  
• Chain 'B':
  No sequence available.
  
  
• Chain 'C':
  No sequence available.
  
  
• Chain 'D':
  No sequence available.
  
  
• Chain 'E':
  No sequence available.
  
  
• Chain 'F':
  No sequence available.
  
  
• Chain 'G':
  No sequence available.
  
  
• Chain 'H':
  Sequence, based on SEQRES records: (download)
  

  >4fr8H (H:)
  saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
  kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
  dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
  palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
  vaftgsteigrviqvaagssnlkrvtlqlggkspniimsdadmdwaveqahfalffnqgq
  scsagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
  kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
  nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
  glqaytevktvtvkvpqkns
  

  
  Sequence, based on observed residues (ATOM records): (download)
  

  >4fr8H (H:)
  vpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaar
  aafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvlk
  clryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatgn
  vvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgst
  eigrviqvaagssnlkrvtlqlggkspniimsdadmdwaveqahfalffnqgqscsagsr
  tfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegakl
  lcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstygl
  aaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayte
  vktvtvkvpqkns