PDB entry 4whr
View 4whr on RCSB PDB site
Description: Anhydride reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5
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 2.06 freeze date was dated
2015-01-28, with a file datestamp of
2015-01-23.
Experiment type: XRAY
Resolution: 1.58 Å
R-factor: 0.151
AEROSPACI score: 0.55
(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 2.06: d4whra_ - 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 2.06: d4whrb_ - 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 2.06: d4whrc_ - 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 2.06: d4whrd_ - 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 2.06: d4whre_ - 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 2.06: d4whrf_ - Heterogens: 3N8, BME, FE, TRS, 3NJ, CL, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence; same for both SEQRES and ATOM records: (download)
>4whrA (A:)
piellpetpsqtagpyvhiglaleaagnptrdqeiwnrlakpdapgehilllgqvydgng
hlvrdsflevwqadangeyqdaynlenafnsfgrtattfdagewtlhtvkpgvvnnaagv
pmaphinislfarginihlhtrlyfddeaqanakcpvlnlieqpqrretliakrcevdgk
tayrfdiriqgegetvffdf
- Chain 'B':
Sequence; same for both SEQRES and ATOM records: (download)
>4whrB (B:)
paqdnsrfvirdrnwhpkaltpdyktsiarsprqalvsipqsisettgpnfshlgfgahd
hdlllnfnngglpigeriivagrvvdqygkpvpntlvemwqanaggryrhkndrylapld
pnfggvgrcltdsdgyysfrtikpgpypwrngpndwrpahihfgisgpsiatklitqlyf
egdplipmcpivksianpeavqqliakldmnnanpmdclayrfdivlrgqrkthfenc
- Chain 'C':
Sequence; same for both SEQRES and ATOM records: (download)
>4whrC (C:)
piellpetpsqtagpyvhiglaleaagnptrdqeiwnrlakpdapgehilllgqvydgng
hlvrdsflevwqadangeyqdaynlenafnsfgrtattfdagewtlhtvkpgvvnnaagv
pmaphinislfarginihlhtrlyfddeaqanakcpvlnlieqpqrretliakrcevdgk
tayrfdiriqgegetvffdf
- Chain 'D':
Sequence, based on SEQRES records: (download)
>4whrD (D:)
paqdnsrfvirdrnwhpkaltpdyktsiarsprqalvsipqsisettgpnfshlgfgahd
hdlllnfnngglpigeriivagrvvdqygkpvpntlvemwqanaggryrhkndrylapld
pnfggvgrcltdsdgyysfrtikpgpypwrngpndwrpahihfgisgpsiatklitqlyf
egdplipmcpivksianpeavqqliakldmnnanpmdclayrfdivlrgqrkthfenc
Sequence, based on observed residues (ATOM records): (download)
>4whrD (D:)
paqdnsrfvirdrnwhpkaltpdyktsiarsprqalvsipqsisettgpnfshlgfgahd
hdlllnfnngglpigeriivagrvvdqygkpvpntlvemwqanaggryrhkndrylapld
pnfggvgrcltdsdgyysfrtikpgpypwrngpndwrpahihfgisgpsiatklitqlyf
egdplipmcpivksianpeavqqliakldmnnanpmdclayrfdivlrgqrkthfen
- Chain 'E':
Sequence; same for both SEQRES and ATOM records: (download)
>4whrE (E:)
piellpetpsqtagpyvhiglaleaagnptrdqeiwnrlakpdapgehilllgqvydgng
hlvrdsflevwqadangeyqdaynlenafnsfgrtattfdagewtlhtvkpgvvnnaagv
pmaphinislfarginihlhtrlyfddeaqanakcpvlnlieqpqrretliakrcevdgk
tayrfdiriqgegetvffdf
- Chain 'F':
Sequence, based on SEQRES records: (download)
>4whrF (F:)
paqdnsrfvirdrnwhpkaltpdyktsiarsprqalvsipqsisettgpnfshlgfgahd
hdlllnfnngglpigeriivagrvvdqygkpvpntlvemwqanaggryrhkndrylapld
pnfggvgrcltdsdgyysfrtikpgpypwrngpndwrpahihfgisgpsiatklitqlyf
egdplipmcpivksianpeavqqliakldmnnanpmdclayrfdivlrgqrkthfenc
Sequence, based on observed residues (ATOM records): (download)
>4whrF (F:)
paqdnsrfvirdrnwhpkaltpdyktsiarsprqalvsipqsisettgpnfshlgfgahd
hdlllnfnngglpigeriivagrvvdqygkpvpntlvemwqanaggryrhkndrylapld
pnfggvgrcltdsdgyysfrtikpgpypwrngpndwrpahihfgisgpsiatklitqlyf
egdplipmcpivksianpeavqqliakldmnnanpmdclayrfdivlrgqrkthfe