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 2.05 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 2.05: 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 2.05: 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 2.05: 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 2.05: 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