PDB entry 3ej3

View 3ej3 on RCSB PDB site
Description: Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity
Class: hydrolase
Keywords: trans-3-chloroacrylic acid dehalogenase, CaaD, dehalogenase, Isomerase, HYDROLASE
Deposited on 2008-09-17, released 2008-12-02
The last revision prior to the SCOPe 2.08 freeze date was dated 2008-12-02, with a file datestamp of 2009-02-03.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.181
AEROSPACI score: 0.55 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Alpha-subunit of trans-3-chloroacrylic acid dehalogenase
    Species: Pseudomonas pavonaceae [TaxId:47881]
    Gene: caaD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ej3a_
  • Chain 'B':
    Compound: Beta-subunit of trans-3-chloroacrylic acid dehalogenase
    Species: Pseudomonas pavonaceae [TaxId:47881]
    Gene: caaD2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ej3b_
  • Chain 'C':
    Compound: Alpha-subunit of trans-3-chloroacrylic acid dehalogenase
    Species: Pseudomonas pavonaceae [TaxId:47881]
    Gene: caaD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ej3c_
  • Chain 'D':
    Compound: Beta-subunit of trans-3-chloroacrylic acid dehalogenase
    Species: Pseudomonas pavonaceae [TaxId:47881]
    Gene: caaD2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ej3d_
  • Chain 'E':
    Compound: Alpha-subunit of trans-3-chloroacrylic acid dehalogenase
    Species: Pseudomonas pavonaceae [TaxId:47881]
    Gene: caaD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ej3e_
  • Chain 'F':
    Compound: Beta-subunit of trans-3-chloroacrylic acid dehalogenase
    Species: Pseudomonas pavonaceae [TaxId:47881]
    Gene: caaD2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ej3f_
  • Chain 'G':
    Compound: Alpha-subunit of trans-3-chloroacrylic acid dehalogenase
    Species: Pseudomonas pavonaceae [TaxId:47881]
    Gene: caaD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ej3g_
  • Chain 'H':
    Compound: Beta-subunit of trans-3-chloroacrylic acid dehalogenase
    Species: Pseudomonas pavonaceae [TaxId:47881]
    Gene: caaD2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ej3h_
  • Chain 'I':
    Compound: Alpha-subunit of trans-3-chloroacrylic acid dehalogenase
    Species: Pseudomonas pavonaceae [TaxId:47881]
    Gene: caaD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ej3i_
  • Chain 'J':
    Compound: Beta-subunit of trans-3-chloroacrylic acid dehalogenase
    Species: Pseudomonas pavonaceae [TaxId:47881]
    Gene: caaD2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ej3j_
  • Chain 'K':
    Compound: Alpha-subunit of trans-3-chloroacrylic acid dehalogenase
    Species: Pseudomonas pavonaceae [TaxId:47881]
    Gene: caaD1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ej3k_
  • Chain 'L':
    Compound: Beta-subunit of trans-3-chloroacrylic acid dehalogenase
    Species: Pseudomonas pavonaceae [TaxId:47881]
    Gene: caaD2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ej3l_
  • Heterogens: ACT, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3ej3A (A:)
mpmiscdmrygrtdeqkralsagllrviseatgepreniffviregsginfvehgehlpd
yvpgnandkaliaklk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ej3A (A:)
pmiscdmrygrtdeqkralsagllrviseatgepreniffviregsginfvehgehlpdy
vp

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3ej3B (B:)
pfiechiatglsvarkqqlirdvidvtnksigsdpkiinvllvehaeanmsisgrihgea
astertpavs

    Sequence, based on observed residues (ATOM records): (download) 
    >3ej3B (B:)
pfiechiatglsvarkqqlirdvidvtnksigsdpkiinvllvehaeanmsisgrihgea
a

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3ej3C (C:)
mpmiscdmrygrtdeqkralsagllrviseatgepreniffviregsginfvehgehlpd
yvpgnandkaliaklk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ej3C (C:)
pmiscdmrygrtdeqkralsagllrviseatgepreniffviregsginfvehgehlpdy
vpgn

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3ej3D (D:)
pfiechiatglsvarkqqlirdvidvtnksigsdpkiinvllvehaeanmsisgrihgea
astertpavs

    Sequence, based on observed residues (ATOM records): (download) 
    >3ej3D (D:)
pfiechiatglsvarkqqlirdvidvtnksigsdpkiinvllvehaeanmsisgrih

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >3ej3E (E:)
mpmiscdmrygrtdeqkralsagllrviseatgepreniffviregsginfvehgehlpd
yvpgnandkaliaklk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ej3E (E:)
pmiscdmrygrtdeqkralsagllrviseatgepreniffviregsginfvehgehlpdy
vp

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >3ej3F (F:)
pfiechiatglsvarkqqlirdvidvtnksigsdpkiinvllvehaeanmsisgrihgea
astertpavs

    Sequence, based on observed residues (ATOM records): (download) 
    >3ej3F (F:)
pfiechiatglsvarkqqlirdvidvtnksigsdpkiinvllvehaeanmsisgrihg

  • Chain 'G':
    Sequence, based on SEQRES records: (download) 
    >3ej3G (G:)
mpmiscdmrygrtdeqkralsagllrviseatgepreniffviregsginfvehgehlpd
yvpgnandkaliaklk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ej3G (G:)
pmiscdmrygrtdeqkralsagllrviseatgepreniffviregsginfvehgehlpdy
vp

  • Chain 'H':
    Sequence, based on SEQRES records: (download) 
    >3ej3H (H:)
pfiechiatglsvarkqqlirdvidvtnksigsdpkiinvllvehaeanmsisgrihgea
astertpavs

    Sequence, based on observed residues (ATOM records): (download) 
    >3ej3H (H:)
pfiechiatglsvarkqqlirdvidvtnksigsdpkiinvllvehaeanmsisgrihge

  • Chain 'I':
    Sequence, based on SEQRES records: (download) 
    >3ej3I (I:)
mpmiscdmrygrtdeqkralsagllrviseatgepreniffviregsginfvehgehlpd
yvpgnandkaliaklk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ej3I (I:)
pmiscdmrygrtdeqkralsagllrviseatgepreniffviregsginfvehgehlpdy
vpgn

  • Chain 'J':
    Sequence, based on SEQRES records: (download) 
    >3ej3J (J:)
pfiechiatglsvarkqqlirdvidvtnksigsdpkiinvllvehaeanmsisgrihgea
astertpavs

    Sequence, based on observed residues (ATOM records): (download) 
    >3ej3J (J:)
pfiechiatglsvarkqqlirdvidvtnksigsdpkiinvllvehaeanmsisgrihg

  • Chain 'K':
    Sequence, based on SEQRES records: (download) 
    >3ej3K (K:)
mpmiscdmrygrtdeqkralsagllrviseatgepreniffviregsginfvehgehlpd
yvpgnandkaliaklk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ej3K (K:)
pmiscdmrygrtdeqkralsagllrviseatgepreniffviregsginfvehgehlpdy
vp

  • Chain 'L':
    Sequence, based on SEQRES records: (download) 
    >3ej3L (L:)
pfiechiatglsvarkqqlirdvidvtnksigsdpkiinvllvehaeanmsisgrihgea
astertpavs

    Sequence, based on observed residues (ATOM records): (download) 
    >3ej3L (L:)
pfiechiatglsvarkqqlirdvidvtnksigsdpkiinvllvehaeanmsisgrihgea