PDB entry 3eck

View 3eck on RCSB PDB site
Description: Structure of E323L Homoprotocatechuate 2,3-dioxygenase from Brevibacterium fuscum in complex with putative O-O bond cleavage intermediate formed via in crystallo reaction with 4-sulfonyl catechol at low oxygen concentrations
Class: oxidoreductase
Keywords: oxidoreductase, oxygenase, extradiol, FeII, crystal packing, Dioxygenase
Deposited on 2008-08-31, released 2008-10-07
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: 0.175
AEROSPACI score: 0.6 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: PROTEIN (Homoprotocatechuate 2,3-dioxygenase)
    Species: Brevibacterium fuscum [TaxId:47914]
    Gene: hpcd
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q45135
      • engineered (322)
    Domains in SCOPe 2.07: d3ecka1, d3ecka2
  • Chain 'B':
    Compound: PROTEIN (Homoprotocatechuate 2,3-dioxygenase)
    Species: Brevibacterium fuscum [TaxId:47914]
    Gene: hpcd
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q45135
      • engineered (322)
    Domains in SCOPe 2.07: d3eckb1, d3eckb2
  • Chain 'C':
    Compound: PROTEIN (Homoprotocatechuate 2,3-dioxygenase)
    Species: Brevibacterium fuscum [TaxId:47914]
    Gene: hpcd
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q45135
      • engineered (322)
    Domains in SCOPe 2.07: d3eckc1, d3eckc2
  • Chain 'D':
    Compound: PROTEIN (Homoprotocatechuate 2,3-dioxygenase)
    Species: Brevibacterium fuscum [TaxId:47914]
    Gene: hpcd
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q45135
      • engineered (322)
    Domains in SCOPe 2.07: d3eckd1, d3eckd2
  • Heterogens: FE2, CL, GOL, CA, XXG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3eckA (A:)
msneipkpvapapdilrcayaelvvtdlaksrnfyvdvlglhvsyedenqiylrsfeefi
hhnlvltkgpvaalkamafrvrtpedvdkaeayyqelgcrterrkdgfvkgigdalrved
plgfpyefffetthverlhmrydlysagelvrldhfnqvtpdvprgrkyledlgfrvted
iqddegttyaawmhrkgtvhdtaltggngprlhhvafsthekhniiqicdkmgalrisdr
iergpgrhgvsnafylyildpdnhrieiytqdyytgdpdnptitwnvhdnqrrdwwgnpv
vpswyteaskvldldgnvqeiilrtddselevtigadgfsftragdedgsyhgqaskgfk
lgnql

    Sequence, based on observed residues (ATOM records): (download) 
    >3eckA (A:)
eipkpvapapdilrcayaelvvtdlaksrnfyvdvlglhvsyedenqiylrsfeefihhn
lvltkgpvaalkamafrvrtpedvdkaeayyqelgcrterrkdgfvkgigdalrvedplg
fpyefffetthverlhmrydlysagelvrldhfnqvtpdvprgrkyledlgfrvtediqd
degttyaawmhrkgtvhdtaltggngprlhhvafsthekhniiqicdkmgalrisdrier
gpgrhgvsnafylyildpdnhrieiytqdyytgdpdnptitwnvhdnqrrdwwgnpvvps
wyteaskvldldgnvqeiilrtddselevtigadgfsftragdedgsyhgqaskgfklg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3eckB (B:)
msneipkpvapapdilrcayaelvvtdlaksrnfyvdvlglhvsyedenqiylrsfeefi
hhnlvltkgpvaalkamafrvrtpedvdkaeayyqelgcrterrkdgfvkgigdalrved
plgfpyefffetthverlhmrydlysagelvrldhfnqvtpdvprgrkyledlgfrvted
iqddegttyaawmhrkgtvhdtaltggngprlhhvafsthekhniiqicdkmgalrisdr
iergpgrhgvsnafylyildpdnhrieiytqdyytgdpdnptitwnvhdnqrrdwwgnpv
vpswyteaskvldldgnvqeiilrtddselevtigadgfsftragdedgsyhgqaskgfk
lgnql

    Sequence, based on observed residues (ATOM records): (download) 
    >3eckB (B:)
eipkpvapapdilrcayaelvvtdlaksrnfyvdvlglhvsyedenqiylrsfeefihhn
lvltkgpvaalkamafrvrtpedvdkaeayyqelgcrterrkdgfvkgigdalrvedplg
fpyefffetthverlhmrydlysagelvrldhfnqvtpdvprgrkyledlgfrvtediqd
degttyaawmhrkgtvhdtaltggngprlhhvafsthekhniiqicdkmgalrisdrier
gpgrhgvsnafylyildpdnhrieiytqdyytgdpdnptitwnvhdnqrrdwwgnpvvps
wyteaskvldldgnvqeiilrtddselevtigadgfsftragdedgsyhgqaskgfklg

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3eckC (C:)
msneipkpvapapdilrcayaelvvtdlaksrnfyvdvlglhvsyedenqiylrsfeefi
hhnlvltkgpvaalkamafrvrtpedvdkaeayyqelgcrterrkdgfvkgigdalrved
plgfpyefffetthverlhmrydlysagelvrldhfnqvtpdvprgrkyledlgfrvted
iqddegttyaawmhrkgtvhdtaltggngprlhhvafsthekhniiqicdkmgalrisdr
iergpgrhgvsnafylyildpdnhrieiytqdyytgdpdnptitwnvhdnqrrdwwgnpv
vpswyteaskvldldgnvqeiilrtddselevtigadgfsftragdedgsyhgqaskgfk
lgnql

    Sequence, based on observed residues (ATOM records): (download) 
    >3eckC (C:)
eipkpvapapdilrcayaelvvtdlaksrnfyvdvlglhvsyedenqiylrsfeefihhn
lvltkgpvaalkamafrvrtpedvdkaeayyqelgcrterrkdgfvkgigdalrvedplg
fpyefffetthverlhmrydlysagelvrldhfnqvtpdvprgrkyledlgfrvtediqd
degttyaawmhrkgtvhdtaltggngprlhhvafsthekhniiqicdkmgalrisdrier
gpgrhgvsnafylyildpdnhrieiytqdyytgdpdnptitwnvhdnqrrdwwgnpvvps
wyteaskvldldgnvqeiilrtddselevtigadgfsftragdedgsyhgqaskgfklg

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3eckD (D:)
msneipkpvapapdilrcayaelvvtdlaksrnfyvdvlglhvsyedenqiylrsfeefi
hhnlvltkgpvaalkamafrvrtpedvdkaeayyqelgcrterrkdgfvkgigdalrved
plgfpyefffetthverlhmrydlysagelvrldhfnqvtpdvprgrkyledlgfrvted
iqddegttyaawmhrkgtvhdtaltggngprlhhvafsthekhniiqicdkmgalrisdr
iergpgrhgvsnafylyildpdnhrieiytqdyytgdpdnptitwnvhdnqrrdwwgnpv
vpswyteaskvldldgnvqeiilrtddselevtigadgfsftragdedgsyhgqaskgfk
lgnql

    Sequence, based on observed residues (ATOM records): (download) 
    >3eckD (D:)
eipkpvapapdilrcayaelvvtdlaksrnfyvdvlglhvsyedenqiylrsfeefihhn
lvltkgpvaalkamafrvrtpedvdkaeayyqelgcrterrkdgfvkgigdalrvedplg
fpyefffetthverlhmrydlysagelvrldhfnqvtpdvprgrkyledlgfrvtediqd
degttyaawmhrkgtvhdtaltggngprlhhvafsthekhniiqicdkmgalrisdrier
gpgrhgvsnafylyildpdnhrieiytqdyytgdpdnptitwnvhdnqrrdwwgnpvvps
wyteaskvldldgnvqeiilrtddselevtigadgfsftragdedgsyhgqaskgfklg