PDB entry 5i6d

View 5i6d on RCSB PDB site
Description: Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 5 [3-(3-(p-Tolyl)ureido) benzoic acid]
Class: lyase
Keywords: Cysteine synthase, Mycobacterium tuberculosis, inhibitor, transferase, LYASE
Deposited on 2016-02-16, released 2016-08-17
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-09-13, with a file datestamp of 2017-09-08.
Experiment type: XRAY
Resolution: 1.64 Å
R-factor: N/A
AEROSPACI score: 0.42 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: O-phosphoserine sulfhydrylase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: cysM, Rv1336, MTCY130.21
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i6da_
  • Chain 'B':
    Compound: O-phosphoserine sulfhydrylase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: cysM, Rv1336, MTCY130.21
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i6db_
  • Chain 'C':
    Compound: O-phosphoserine sulfhydrylase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: cysM, Rv1336, MTCY130.21
    Database cross-references and differences (RAF-indexed):
    • Uniprot P9WP53 (3-End)
      • expression tag (2)
      • engineered mutation (4)
    Domains in SCOPe 2.07: d5i6dc1, d5i6dc2
  • Chain 'D':
    Compound: O-phosphoserine sulfhydrylase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: cysM, Rv1336, MTCY130.21
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5i6dd_
  • Heterogens: PLP, AU6, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5i6dA (A:)
    gshmarydsllqalgntplvglqrlsprwddgrdgphvrlwakledrnptgsikdrpavr
    mieqaeadgllrpgatileptsgntgislamaarlkgyrlicvmpentsverrqllelyg
    aqiifsaaeggsntavatakelaatnpswvmlyqygnpantdshycgtgpelladlpeit
    hfvaglgttgtlmgtgrflrehvanvkivaaeprygegvyalrnmdegfvpelydpeilt
    arysvgavdavrrtrelvhtegifagistgavlhaalgvgagalaageradialvvadag
    wkylstgayagslddaetalegqlwa
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i6dA (A:)
    rydsllqalgntplvglqrlsprwddgrdgphvrlwakledrnptgsikdrpavrmieqa
    eadgllrpgatileptsgntgislamaarlkgyrlicvmpentsverrqllelygaqiif
    stavatakelaatnpswvmlyqygnpantdshycgtgpelladlpeithfvaglgttgtl
    mgtgrflrehvanvkivaaeprfvpelydpeiltarysvgavdavrrtrelvhtegifag
    istgavlhaalgvgagalaageradialvvadagwkylstgayag
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5i6dB (B:)
    gshmarydsllqalgntplvglqrlsprwddgrdgphvrlwakledrnptgsikdrpavr
    mieqaeadgllrpgatileptsgntgislamaarlkgyrlicvmpentsverrqllelyg
    aqiifsaaeggsntavatakelaatnpswvmlyqygnpantdshycgtgpelladlpeit
    hfvaglgttgtlmgtgrflrehvanvkivaaeprygegvyalrnmdegfvpelydpeilt
    arysvgavdavrrtrelvhtegifagistgavlhaalgvgagalaageradialvvadag
    wkylstgayagslddaetalegqlwa
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i6dB (B:)
    rydsllqalgntplvglqrlsprwdgphvrlwakledrnptgsikdrpavrmieqaeadg
    llrpgatileptsgntgislamaarlkgyrlicvmpentsverrqllelygaqiifsaae
    ggsntavatakelaatnpswvmlyqygnpantdshycgtgpelladlpeithfvaglgtt
    gtlmgtgrflrehvanvkivaaeprfvpelydpeiltarysvgavdavrrtrelvhtegi
    fagistgavlhaalgvgagalaageradialvvadagwkylstgaya
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5i6dC (C:)
    gshmarydsllqalgntplvglqrlsprwddgrdgphvrlwakledrnptgsikdrpavr
    mieqaeadgllrpgatileptsgntgislamaarlkgyrlicvmpentsverrqllelyg
    aqiifsaaeggsntavatakelaatnpswvmlyqygnpantdshycgtgpelladlpeit
    hfvaglgttgtlmgtgrflrehvanvkivaaeprygegvyalrnmdegfvpelydpeilt
    arysvgavdavrrtrelvhtegifagistgavlhaalgvgagalaageradialvvadag
    wkylstgayagslddaetalegqlwa
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i6dC (C:)
    hmarydsllqalgntplvglqrlsprwdddgphvrlwakledrnptgsikdrpavrmieq
    aeadgllrpgatileptsgntgislamaarlkgyrlicvmpentsverrqllelygaqii
    fsaaeggsntavatakelaatnpswvmlyqygnpantdshycgtgpelladlpeithfva
    glgttgtlmgtgrflrehvanvkivaaeprvpelydpeiltarysvgavdavrrtrelvh
    tegifagistgavlhaalgvgagalaageradialvvadagwkylstgay
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5i6dD (D:)
    gshmarydsllqalgntplvglqrlsprwddgrdgphvrlwakledrnptgsikdrpavr
    mieqaeadgllrpgatileptsgntgislamaarlkgyrlicvmpentsverrqllelyg
    aqiifsaaeggsntavatakelaatnpswvmlyqygnpantdshycgtgpelladlpeit
    hfvaglgttgtlmgtgrflrehvanvkivaaeprygegvyalrnmdegfvpelydpeilt
    arysvgavdavrrtrelvhtegifagistgavlhaalgvgagalaageradialvvadag
    wkylstgayagslddaetalegqlwa
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i6dD (D:)
    rydsllqalgntplvglqrlsprwddgrdgphvrlwakledrnptgsikdrpavrmieqa
    eadgllrpgatileptsgntgislamaarlkgyrlicvmpentsverrqllelygaqiif
    saasntavatakelaatnpswvmlyqygnpantdshycgtgpelladlpeithfvaglgt
    tgtlmgtgrflrehvanvkivaaeprygegvyalrnmdegfvpelydpeiltarysvgav
    davrrtrelvhtegifagistgavlhaalgvgagalaageradialvvadagwkylstga
    yagslddaetalegqlwa