PDB entry 6hje

View 6hje on RCSB PDB site
Description: Trypanosoma cruzi proline racemase in complex with inhibitor NG-P27
Class: isomerase
Keywords: Proline Racemase, Drug Design, Michael Reaction, isomerase
Deposited on 2018-09-03, released 2018-11-07
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-11-07, with a file datestamp of 2018-11-02.
Experiment type: XRAY
Resolution: 2 Å
R-factor: N/A
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Proline racemase A
    Species: Trypanosoma cruzi (strain CL Brener) [TaxId:353153]
    Gene: PA45-A, Tc00.1047053506795.80
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q4DA80 (Start-392)
      • conflict (117)
      • expression tag (393)
    Domains in SCOPe 2.08: d6hjea1, d6hjea2
  • Chain 'B':
    Compound: Proline racemase A
    Species: Trypanosoma cruzi (strain CL Brener) [TaxId:353153]
    Gene: PA45-A, Tc00.1047053506795.80
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q4DA80 (Start-392)
      • conflict (117)
      • expression tag (393-397)
    Domains in SCOPe 2.08: d6hjeb1, d6hjeb2
  • Heterogens: 7N0, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6hjeA (A:)
mgqekllfdqkykiikgekkekkknqranrrehqqkreimrfkksftcidmhtegeaari
vtsglphipgsnmaekkaylqenmdylrrgimleprghddmfgaflfdpieegadlgivf
mdtggylnmcghnsiaavtaavetgivsvpakatnvpvvldtpaglvrgtahlqsgtese
vsnasiinvpsflyqqdvvvvlpkpygevrvdiafggnffaivpaeqlgidisvqnlsrl
qeagellrteinrsvkvqhpqlphintvdcveiygpptnpeanyknvvifgnrqadrspc
gtgtsakmatlyakgqlrigetfvyesilgslfqgrvlgeeripgvkvpvtkdaeegmlv
vtaeitgkafimgfntmlfdptdpfkngftlkqyiwsssvdklaaalehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6hjeA (A:)
eimrfkksftcidmhtegeaarivtsglphipgsnmaekkaylqenmdylrrgimleprg
hddmfgaflfdpieegadlgivfmdtggylnmcghnsiaavtaavetgivsvpakatnvp
vvldtpaglvrgtahlqsgtesevsnasiinvpsflyqqdvvvvlpkpygevrvdiafgg
nffaivpaeqlgidisvqnlsrlqeagellrteinrsvkvqhpqlphintvdcveiygpp
tnpeanyknvvifgnrqadrspcgtgtsakmatlyakgqlrigetfvyesilgslfqgrv
lgeeripgvkvpvtkdaeegmlvvtaeitgkafimgfntmlfdptdpfkngftlkqy

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6hjeB (B:)
mgqekllfdqkykiikgekkekkknqranrrehqqkreimrfkksftcidmhtegeaari
vtsglphipgsnmaekkaylqenmdylrrgimleprghddmfgaflfdpieegadlgivf
mdtggylnmcghnsiaavtaavetgivsvpakatnvpvvldtpaglvrgtahlqsgtese
vsnasiinvpsflyqqdvvvvlpkpygevrvdiafggnffaivpaeqlgidisvqnlsrl
qeagellrteinrsvkvqhpqlphintvdcveiygpptnpeanyknvvifgnrqadrspc
gtgtsakmatlyakgqlrigetfvyesilgslfqgrvlgeeripgvkvpvtkdaeegmlv
vtaeitgkafimgfntmlfdptdpfkngftlkqyiwsssvdklaaalehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6hjeB (B:)
kksftcidmhtegeaarivtsglphipgsnmaekkaylqenmdylrrgimleprghddmf
gaflfdpieegadlgivfmdtggylnmcghnsiaavtaavetgivsvpakatnvpvvldt
paglvrgtahlqsgtesevsnasiinvpsflyqqdvvvvlpkpygevrvdiafggnffai
vpaeqlgidisvqnlsrlqeagellrteinrsvkvqhpqlphintvdcveiygpptnpea
nyknvvifgnrqadrspcgtgtsakmatlyakgqlrigetfvyesilgslfqgrvlgeer
ipgvkvpvtkdaeegmlvvtaeitgkafimgfntmlfdptdpfkngftlkqyiwss