PDB entry 3n9r

View 3n9r on RCSB PDB site
Description: Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(4-hydroxybutyl)-phosphoglycolohydroxamic acid, a competitive inhibitor
Class: lyase
Keywords: FBP aldolase, Class II, inhibitor, LYASE
Deposited on 2010-05-31, released 2010-11-17
The last revision prior to the SCOPe 2.07 freeze date was dated 2010-11-24, with a file datestamp of 2010-11-19.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.162
AEROSPACI score: 0.56 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Fructose-bisphosphate aldolase
    Species: Helicobacter pylori [TaxId:290847]
    Gene: ALF_HELPY
    Database cross-references and differences (RAF-indexed):
    • Uniprot D0IR47 (0-306)
      • conflict (217)
    Domains in SCOPe 2.07: d3n9ra_
  • Chain 'B':
    Compound: Fructose-bisphosphate aldolase
    Species: Helicobacter pylori [TaxId:290847]
    Gene: ALF_HELPY
    Database cross-references and differences (RAF-indexed):
    • Uniprot D0IR47 (0-306)
      • conflict (217)
    Domains in SCOPe 2.07: d3n9rb_
  • Chain 'K':
    Compound: Fructose-bisphosphate aldolase
    Species: Helicobacter pylori [TaxId:290847]
    Gene: ALF_HELPY
    Database cross-references and differences (RAF-indexed):
    • Uniprot D0IR47 (0-306)
      • conflict (217)
    Domains in SCOPe 2.07: d3n9rk_
  • Chain 'P':
    Compound: Fructose-bisphosphate aldolase
    Species: Helicobacter pylori [TaxId:290847]
    Gene: ALF_HELPY
    Database cross-references and differences (RAF-indexed):
    • Uniprot D0IR47 (0-306)
      • conflict (217)
    Domains in SCOPe 2.07: d3n9rp_
  • Chain 'U':
    Compound: Fructose-bisphosphate aldolase
    Species: Helicobacter pylori [TaxId:290847]
    Gene: ALF_HELPY
    Database cross-references and differences (RAF-indexed):
    • Uniprot D0IR47 (0-306)
      • conflict (217)
    Domains in SCOPe 2.07: d3n9ru_
  • Chain 'Z':
    Compound: Fructose-bisphosphate aldolase
    Species: Helicobacter pylori [TaxId:290847]
    Gene: ALF_HELPY
    Database cross-references and differences (RAF-indexed):
    • Uniprot D0IR47 (0-306)
      • conflict (217)
    Domains in SCOPe 2.07: d3n9rz_
  • Chain 'e':
    Compound: Fructose-bisphosphate aldolase
    Species: Helicobacter pylori [TaxId:290847]
    Gene: ALF_HELPY
    Database cross-references and differences (RAF-indexed):
    • Uniprot D0IR47 (0-306)
      • conflict (217)
    Domains in SCOPe 2.07: d3n9re_
  • Chain 'j':
    Compound: Fructose-bisphosphate aldolase
    Species: Helicobacter pylori [TaxId:290847]
    Gene: ALF_HELPY
    Database cross-references and differences (RAF-indexed):
    • Uniprot D0IR47 (0-306)
      • conflict (217)
    Domains in SCOPe 2.07: d3n9rj_
  • Heterogens: ZN, NA, CL, TD3, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3n9rA (A:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiednisvdekdavlvnpkeaeqfvkesqvdylapaigtsh
    gafkfkgepkldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfef
    lqesvkgginkvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkl
    lgsanki
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n9rA (A:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiavlvnpkeaeqfvkesqvdylapaigtshgafkfkgepk
    ldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfeflqesvkggin
    kvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkllgsanki
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3n9rB (B:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiednisvdekdavlvnpkeaeqfvkesqvdylapaigtsh
    gafkfkgepkldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfef
    lqesvkgginkvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkl
    lgsanki
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n9rB (B:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiavlvnpkeaeqfvkesqvdylapaigtshgafkfkgepk
    ldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfeflqesvkggin
    kvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkllgsanki
    

  • Chain 'K':
    Sequence, based on SEQRES records: (download)
    >3n9rK (K:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiednisvdekdavlvnpkeaeqfvkesqvdylapaigtsh
    gafkfkgepkldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfef
    lqesvkgginkvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkl
    lgsanki
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n9rK (K:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiavlvnpkeaeqfvkesqvdylapaigtshgafkfkgepk
    ldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfeflqesvkggin
    kvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkllgsanki
    

  • Chain 'P':
    Sequence, based on SEQRES records: (download)
    >3n9rP (P:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiednisvdekdavlvnpkeaeqfvkesqvdylapaigtsh
    gafkfkgepkldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfef
    lqesvkgginkvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkl
    lgsanki
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n9rP (P:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiavlvnpkeaeqfvkesqvdylapaigtshgafkfkgepk
    ldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfeflqesvkggin
    kvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkllgsanki
    

  • Chain 'U':
    Sequence, based on SEQRES records: (download)
    >3n9rU (U:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiednisvdekdavlvnpkeaeqfvkesqvdylapaigtsh
    gafkfkgepkldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfef
    lqesvkgginkvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkl
    lgsanki
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n9rU (U:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiavlvnpkeaeqfvkesqvdylapaigtshgafkfkgepk
    ldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfeflqesvkggin
    kvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkllgsanki
    

  • Chain 'Z':
    Sequence, based on SEQRES records: (download)
    >3n9rZ (Z:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiednisvdekdavlvnpkeaeqfvkesqvdylapaigtsh
    gafkfkgepkldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfef
    lqesvkgginkvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkl
    lgsanki
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n9rZ (Z:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiavlvnpkeaeqfvkesqvdylapaigtshgafkfkgepk
    ldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfeflqesvkggin
    kvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkllgsanki
    

  • Chain 'e':
    Sequence, based on SEQRES records: (download)
    >3n9re (e:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiednisvdekdavlvnpkeaeqfvkesqvdylapaigtsh
    gafkfkgepkldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfef
    lqesvkgginkvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkl
    lgsanki
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n9re (e:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiavlvnpkeaeqfvkesqvdylapaigtshgafkfkgepk
    ldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfeflqesvkggin
    kvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkllgsanki
    

  • Chain 'j':
    Sequence, based on SEQRES records: (download)
    >3n9rj (j:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiednisvdekdavlvnpkeaeqfvkesqvdylapaigtsh
    gafkfkgepkldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfef
    lqesvkgginkvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkl
    lgsanki
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n9rj (j:)
    mlvkgneillkahkegygvgafnfvnfemlnaifeagneensplfiqasegaikymgidm
    avgmvkimceryphipvalhldhgttfescekavkagftsvmidashhafeenleltskv
    vkmahnagvsveaelgrlmgiavlvnpkeaeqfvkesqvdylapaigtshgafkfkgepk
    ldferlqevkrltniplvlhgasaipdnvrksyldaggdlkgskgvpfeflqesvkggin
    kvntdtdlriafiaevrkvanedksqfdlrkffspaqlalknvvkermkllgsanki