PDB entry 3uxm

View 3uxm on RCSB PDB site
Description: Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
Class: transferase/transferase inhibitor
Keywords: Thymidylate kinase, thymidine triphosphate, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2011-12-05, released 2012-02-01
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-11-14, with a file datestamp of 2012-11-09.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.178
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: thymidylate kinase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Gene: PA2962, tmk
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3uxma_
  • Chain 'B':
    Compound: thymidylate kinase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Gene: PA2962, tmk
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3uxmb_
  • Chain 'C':
    Compound: thymidylate kinase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Gene: PA2962, tmk
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3uxmc_
  • Chain 'D':
    Compound: thymidylate kinase
    Species: Pseudomonas aeruginosa [TaxId:208964]
    Gene: PA2962, tmk
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3uxmd_
  • Heterogens: MG, 0DN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3uxmA (A:)
    tglfvtlegpegagkstnrdylaerlrergievqltrepggtplaerirelllapsdepm
    aadtelllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaales
    fvqgdlrpdltlvfdlpveiglaraaargrldrfeqedrrffeavrqtylqraaqapery
    qvldaglplaevqagldrllpnllerlnggs
    

    Sequence, based on observed residues (ATOM records): (download)
    >3uxmA (A:)
    glfvtlegpegtnrdylaerlrergievqltrepggtplaerirelllapsdepmaadte
    lllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaalesfvqgd
    lrpdltlvfdlpveiglarrldrfeqedrrffeavrqtylqraaqaperyqvldaglpla
    evqagldrllpnllerl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3uxmB (B:)
    tglfvtlegpegagkstnrdylaerlrergievqltrepggtplaerirelllapsdepm
    aadtelllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaales
    fvqgdlrpdltlvfdlpveiglaraaargrldrfeqedrrffeavrqtylqraaqapery
    qvldaglplaevqagldrllpnllerlnggs
    

    Sequence, based on observed residues (ATOM records): (download)
    >3uxmB (B:)
    tglfvtlegpegagkstnrdylaerlrergievqltrepggtplaerirelllapsdepm
    aadtelllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaales
    fvqgdlrpdltlvfdlpveiglaraaargdrfeqedrrffeavrqtylqraaqaperyqv
    ldaglplaevqagldrllpnller
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3uxmC (C:)
    tglfvtlegpegagkstnrdylaerlrergievqltrepggtplaerirelllapsdepm
    aadtelllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaales
    fvqgdlrpdltlvfdlpveiglaraaargrldrfeqedrrffeavrqtylqraaqapery
    qvldaglplaevqagldrllpnllerlnggs
    

    Sequence, based on observed residues (ATOM records): (download)
    >3uxmC (C:)
    tglfvtlegpegatnrdylaerlrergievqltrepggtplaerirelllapsdepmaad
    telllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaalesfvq
    gdlrpdltlvfdlpveiglaraaldrfeqedrrffeavrqtylqraaqaperyqvldagl
    plaevqagldrllpnllerl
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3uxmD (D:)
    tglfvtlegpegagkstnrdylaerlrergievqltrepggtplaerirelllapsdepm
    aadtelllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaales
    fvqgdlrpdltlvfdlpveiglaraaargrldrfeqedrrffeavrqtylqraaqapery
    qvldaglplaevqagldrllpnllerlnggs
    

    Sequence, based on observed residues (ATOM records): (download)
    >3uxmD (D:)
    glfvtlegpegagkstnrdylaerlrergievqltrepggtplaerirelllapsdepma
    adtelllmfaaraqhlagvirpalargavvlcdrftdatyayqgggrglpeariaalesf
    vqgdlrpdltlvfdlpveiglaraaargrldrfeqedrrffeavrqtylqraaqaperyq
    vldaglplaevqagldrllpnll