PDB entry 3q1l

View 3q1l on RCSB PDB site
Description: Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase from Streptococcus pneumoniae with cysteamine bound covalently to Cys 128
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: NADP, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2010-12-17, released 2012-01-04
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-01-04, with a file datestamp of 2011-12-30.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.196
AEROSPACI score: 0.36 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Aspartate beta-semialdehyde dehydrogenase
    Species: Streptococcus pneumoniae [TaxId:171101]
    Gene: asd, CGSSpBS455_08742, spr0918
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3q1la1, d3q1la2
  • Chain 'B':
    Compound: Aspartate beta-semialdehyde dehydrogenase
    Species: Streptococcus pneumoniae [TaxId:171101]
    Gene: asd, CGSSpBS455_08742, spr0918
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3q1lb1, d3q1lb2
  • Chain 'C':
    Compound: Aspartate beta-semialdehyde dehydrogenase
    Species: Streptococcus pneumoniae [TaxId:171101]
    Gene: asd, CGSSpBS455_08742, spr0918
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q8DQ00 (Start-357)
      • expression tag (358-360)
    Domains in SCOPe 2.04: d3q1lc1, d3q1lc2
  • Chain 'D':
    Compound: Aspartate beta-semialdehyde dehydrogenase
    Species: Streptococcus pneumoniae [TaxId:171101]
    Gene: asd, CGSSpBS455_08742, spr0918
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3q1ld1, d3q1ld2
  • Heterogens: DHL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3q1lA (A:)
    mgytvavvgatgavgaqmikmleestlpidkirylasarsagkslkfkdqditieettet
    afegvdialfsagsstsakyapyavkagvvvvdntsyfrqnpdvplvvpevnahaldahn
    giiacpncstiqmmvalepvrqkwgldriivstyqavsgagmgailetqrelrevlndgv
    kpcdlhaeilpsggdkkhypiafnalpqidvftdndytyeemkmtketkkimeddsiavs
    atcvripvlsahsesvyietkevapieevkaaiaafpgavleddvahqiypqainavgsr
    dtfvgrirkdldaekgihmwvvsdnllkgaawnsvqiaetlherglvrptaelkfelkle
    hhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3q1lA (A:)
    gytvavvgatgavgaqmikmleestlpidkirylasarsagkslkfkdqditieetteta
    fegvdialfsagsstsakyapyavkagvvvvdntsyfrqnpdvplvvpevnahaldahng
    iiacpncstiqmmvalepvrqkwgldriivstyqavsgagmgailetqrelrevlndgvk
    pcdlhaeilpsggdkkhypiafnalpqidvftdndytyeemkmtketkkimeddsiavsa
    tcvripvlsahsesvyietkevapieevkaaiaafpgavleddvahqiypqainavgsrd
    tfvgrirkdldaekgihmwvvsdnllkgaawnsvqiaetlherglvrptaelkfelk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3q1lB (B:)
    mgytvavvgatgavgaqmikmleestlpidkirylasarsagkslkfkdqditieettet
    afegvdialfsagsstsakyapyavkagvvvvdntsyfrqnpdvplvvpevnahaldahn
    giiacpncstiqmmvalepvrqkwgldriivstyqavsgagmgailetqrelrevlndgv
    kpcdlhaeilpsggdkkhypiafnalpqidvftdndytyeemkmtketkkimeddsiavs
    atcvripvlsahsesvyietkevapieevkaaiaafpgavleddvahqiypqainavgsr
    dtfvgrirkdldaekgihmwvvsdnllkgaawnsvqiaetlherglvrptaelkfelkle
    hhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3q1lB (B:)
    gytvavvgatgavgaqmikmleestlpidkirylasarsagkslkfkdqditieetteta
    fegvdialfsagsstsakyapyavkagvvvvdntsyfrqnpdvplvvpevnahaldahng
    iiacpncstiqmmvalepvrqkwgldriivstyqavsgagmgailetqrelrevlndgvk
    pcdlhaeilpsggdkkhypiafnalpqidvftdndytyeemkmtketkkimeddsiavsa
    tcvripvlsahsesvyietkevapieevkaaiaafpgavleddvahqiypqainavgsrd
    tfvgrirkdldaekgihmwvvsdnllkgaawnsvqiaetlherglvrptaelkfel
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3q1lC (C:)
    mgytvavvgatgavgaqmikmleestlpidkirylasarsagkslkfkdqditieettet
    afegvdialfsagsstsakyapyavkagvvvvdntsyfrqnpdvplvvpevnahaldahn
    giiacpncstiqmmvalepvrqkwgldriivstyqavsgagmgailetqrelrevlndgv
    kpcdlhaeilpsggdkkhypiafnalpqidvftdndytyeemkmtketkkimeddsiavs
    atcvripvlsahsesvyietkevapieevkaaiaafpgavleddvahqiypqainavgsr
    dtfvgrirkdldaekgihmwvvsdnllkgaawnsvqiaetlherglvrptaelkfelkle
    hhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3q1lC (C:)
    gytvavvgatgavgaqmikmleestlpidkirylasarsagkslkfkdqditieetteta
    fegvdialfsagsstsakyapyavkagvvvvdntsyfrqnpdvplvvpevnahaldahng
    iiacpncstiqmmvalepvrqkwgldriivstyqavsgagmgailetqrelrevlndgvk
    pcdlhaeilpsggdkkhypiafnalpqidvftdndytyeemkmtketkkimeddsiavsa
    tcvripvlsahsesvyietkevapieevkaaiaafpgavleddvahqiypqainavgsrd
    tfvgrirkdldaekgihmwvvsdnllkgaawnsvqiaetlherglvrptaelkfelkleh
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3q1lD (D:)
    mgytvavvgatgavgaqmikmleestlpidkirylasarsagkslkfkdqditieettet
    afegvdialfsagsstsakyapyavkagvvvvdntsyfrqnpdvplvvpevnahaldahn
    giiacpncstiqmmvalepvrqkwgldriivstyqavsgagmgailetqrelrevlndgv
    kpcdlhaeilpsggdkkhypiafnalpqidvftdndytyeemkmtketkkimeddsiavs
    atcvripvlsahsesvyietkevapieevkaaiaafpgavleddvahqiypqainavgsr
    dtfvgrirkdldaekgihmwvvsdnllkgaawnsvqiaetlherglvrptaelkfelkle
    hhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3q1lD (D:)
    gytvavvgatgavgaqmikmleestlpidkirylasarsagkslkfkdqditieetteta
    fegvdialfsagsstsakyapyavkagvvvvdntsyfrqnpdvplvvpevnahaldahng
    iiacpncstiqmmvalepvrqkwgldriivstyqavsgagmgailetqrelrevlndgvk
    pcdlhaeilpsggdkkhypiafnalpqidvftdndytyeemkmtketkkimeddsiavsa
    tcvripvlsahsesvyietkevapieevkaaiaafpgavleddvahqiypqainavgsrd
    tfvgrirkdldaekgihmwvvsdnllkgaawnsvqiaetlherglvrptaelkfel