PDB entry 4whq

View 4whq on RCSB PDB site
Description: Alkylperoxo reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 6.5
Class: oxidoreductase
Keywords: dioxygen activation, non-heme iron, intradiol dioxygenase, aromatic ring cleavage, catalytic intermediates, OXIDOREDUCTASE
Deposited on 2014-09-23, released 2014-12-31
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-09-27, with a file datestamp of 2017-09-22.
Experiment type: XRAY
Resolution: 1.78 Å
R-factor: N/A
AEROSPACI score: 0.38 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: protocatechuate 3,4-dioxygenase alpha chain
    Species: Pseudomonas putida [TaxId:303]
    Gene: pcaG
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4whqa_
  • Chain 'B':
    Compound: protocatechuate 3,4-dioxygenase beta chain
    Species: Pseudomonas putida [TaxId:303]
    Gene: PCAH
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4whqb_
  • Chain 'C':
    Compound: protocatechuate 3,4-dioxygenase alpha chain
    Species: Pseudomonas putida [TaxId:303]
    Gene: pcaG
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4whqc_
  • Chain 'D':
    Compound: protocatechuate 3,4-dioxygenase beta chain
    Species: Pseudomonas putida [TaxId:303]
    Gene: PCAH
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4whqd_
  • Chain 'E':
    Compound: protocatechuate 3,4-dioxygenase alpha chain
    Species: Pseudomonas putida [TaxId:303]
    Gene: pcaG
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4whqe_
  • Chain 'F':
    Compound: protocatechuate 3,4-dioxygenase beta chain
    Species: Pseudomonas putida [TaxId:303]
    Gene: PCAH
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4whqf_
  • Heterogens: CL, 3N8, FE, BME, BCT, SO4, NA, GOL, 3N9, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4whqA (A:)
piellpetpsqtagpyvhiglaleaagnptrdqeiwnrlakpdapgehilllgqvydgng
hlvrdsflevwqadangeyqdaynlenafnsfgrtattfdagewtlhtvkpgvvnnaagv
pmaphinislfarginihlhtrlyfddeaqanakcpvlnlieqpqrretliakrcevdgk
tayrfdiriqgegetvffdf

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4whqB (B:)
paqdnsrfvirdrnwhpkaltpdyktsiarsprqalvsipqsisettgpnfshlgfgahd
hdlllnfnngglpigeriivagrvvdqygkpvpntlvemwqanaggryrhkndrylapld
pnfggvgrcltdsdgyysfrtikpgpypwrngpndwrpahihfgisgpsiatklitqlyf
egdplipmcpivksianpeavqqliakldmnnanpmdclayrfdivlrgqrkthfenc

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4whqC (C:)
piellpetpsqtagpyvhiglaleaagnptrdqeiwnrlakpdapgehilllgqvydgng
hlvrdsflevwqadangeyqdaynlenafnsfgrtattfdagewtlhtvkpgvvnnaagv
pmaphinislfarginihlhtrlyfddeaqanakcpvlnlieqpqrretliakrcevdgk
tayrfdiriqgegetvffdf

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4whqD (D:)
paqdnsrfvirdrnwhpkaltpdyktsiarsprqalvsipqsisettgpnfshlgfgahd
hdlllnfnngglpigeriivagrvvdqygkpvpntlvemwqanaggryrhkndrylapld
pnfggvgrcltdsdgyysfrtikpgpypwrngpndwrpahihfgisgpsiatklitqlyf
egdplipmcpivksianpeavqqliakldmnnanpmdclayrfdivlrgqrkthfenc

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4whqE (E:)
piellpetpsqtagpyvhiglaleaagnptrdqeiwnrlakpdapgehilllgqvydgng
hlvrdsflevwqadangeyqdaynlenafnsfgrtattfdagewtlhtvkpgvvnnaagv
pmaphinislfarginihlhtrlyfddeaqanakcpvlnlieqpqrretliakrcevdgk
tayrfdiriqgegetvffdf

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >4whqF (F:)
paqdnsrfvirdrnwhpkaltpdyktsiarsprqalvsipqsisettgpnfshlgfgahd
hdlllnfnngglpigeriivagrvvdqygkpvpntlvemwqanaggryrhkndrylapld
pnfggvgrcltdsdgyysfrtikpgpypwrngpndwrpahihfgisgpsiatklitqlyf
egdplipmcpivksianpeavqqliakldmnnanpmdclayrfdivlrgqrkthfenc

    Sequence, based on observed residues (ATOM records): (download) 
    >4whqF (F:)
paqdnsrfvirdrnwhpkaltpdyktsiarsprqalvsipqsisettgpnfshlgfgahd
hdlllnfnngglpigeriivagrvvdqygkpvpntlvemwqanaggryrhkndrylapld
pnfggvgrcltdsdgyysfrtikpgpypwrngpndwrpahihfgisgpsiatklitqlyf
egdplipmcpivksianpeavqqliakldmnnanpmdclayrfdivlrgqrkthfe