PDB entry 6du1

View 6du1 on RCSB PDB site
Description: Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD6309 bound
Class: lyase/lyase inhibitor
Keywords: PLP, heterotetramer, amino acid biosynthesis, substrate channeling, allostery, Structural Genomics, Center for Structural Genomics of Infectious Diseases, CSGID, LYASE-LYASE INHIBITOR complex
Deposited on 2018-06-19, released 2018-07-04
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-07-04, with a file datestamp of 2018-06-29.
Experiment type: XRAY
Resolution: 2.74 Å
R-factor: N/A
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: tryptophan synthase alpha chain
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: trpA, Rv1613, MTCY01B2.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6du1a_
  • Chain 'B':
    Compound: tryptophan synthase beta chain
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: trpB, Rv1612, MTCY01B2.04
    Database cross-references and differences (RAF-indexed):
  • Chain 'C':
    Compound: tryptophan synthase alpha chain
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: trpA, Rv1613, MTCY01B2.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6du1c_
  • Chain 'D':
    Compound: tryptophan synthase beta chain
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: trpB, Rv1612, MTCY01B2.04
    Database cross-references and differences (RAF-indexed):
  • Chain 'E':
    Compound: tryptophan synthase alpha chain
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: trpA, Rv1613, MTCY01B2.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6du1e_
  • Chain 'F':
    Compound: tryptophan synthase beta chain
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: trpB, Rv1612, MTCY01B2.04
    Database cross-references and differences (RAF-indexed):
  • Chain 'G':
    Compound: tryptophan synthase alpha chain
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: trpA, Rv1613, MTCY01B2.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6du1g_
  • Chain 'H':
    Compound: tryptophan synthase beta chain
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: trpB, Rv1612, MTCY01B2.04
    Database cross-references and differences (RAF-indexed):
  • Heterogens: FMT, EDO, H9V, MLA, MLT, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6du1A (A:)
    mvaveqseasrlgpvfdscrannraaligylptgypdvpasvaamtalvesgcdiievgv
    pysdpgmdgptiarateaalrggvrvrdtlaaveaisiaggravvmtywnpvlrygvdaf
    ardlaaagglglitpdlipdeaqqwlaaseehrldriflvapsstperlaatveasrgfv
    yaastmgvtgardavsqaapelvgrvkavsdipvgvglgvrsraqaaqiaqyadgvivgs
    alvtalteglprlraltgelaagvrlgmsahhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6du1A (A:)
    easrlgpvfdscrannraaligylptgypdvpasvaamtalvesgcdiievgvpysdpgm
    dgptiarateaalrggvrvrdtlaaveaisiaggravvmtywnpvlrygvdafardlaaa
    gglglitpdlipdeaqqwlaaseehrldriflvapsstperlaatveasrgfvyaassqa
    apelvgrvkavsdipvgvglgvrsraqaaqiaqyadgvivgsalvtalteglprlraltg
    elaagvrlg
    

  • Chain 'B':
    No sequence available.

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6du1C (C:)
    mvaveqseasrlgpvfdscrannraaligylptgypdvpasvaamtalvesgcdiievgv
    pysdpgmdgptiarateaalrggvrvrdtlaaveaisiaggravvmtywnpvlrygvdaf
    ardlaaagglglitpdlipdeaqqwlaaseehrldriflvapsstperlaatveasrgfv
    yaastmgvtgardavsqaapelvgrvkavsdipvgvglgvrsraqaaqiaqyadgvivgs
    alvtalteglprlraltgelaagvrlgmsahhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6du1C (C:)
    asrlgpvfdscrannraaligylptgypdvpasvaamtalvesgcdiievgvpysdpgmd
    gptiarateaalrggvrvrdtlaaveaisiaggravvmtywnpvlrygvdafardlaaag
    glglitpdlipdeaqqwlaaseehrldriflvapsstperlaatveasrgfvyaastvsq
    aapelvgrvkavsdipvgvglgvrsraqaaqiaqyadgvivgsalvtalteglprlralt
    gelaagvrlg
    

  • Chain 'D':
    No sequence available.

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >6du1E (E:)
    mvaveqseasrlgpvfdscrannraaligylptgypdvpasvaamtalvesgcdiievgv
    pysdpgmdgptiarateaalrggvrvrdtlaaveaisiaggravvmtywnpvlrygvdaf
    ardlaaagglglitpdlipdeaqqwlaaseehrldriflvapsstperlaatveasrgfv
    yaastmgvtgardavsqaapelvgrvkavsdipvgvglgvrsraqaaqiaqyadgvivgs
    alvtalteglprlraltgelaagvrlgmsahhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6du1E (E:)
    asrlgpvfdscrannraaligylptgypdvpasvaamtalvesgcdiievgvpysdpgmd
    gptiarateaalrggvrvrdtlaaveaisiaggravvmtywnpvlrygvdafardlaaag
    glglitpdlipdeaqqwlaaseehrldriflvapsstperlaatveasrgfvyaassqaa
    pelvgrvkavsdipvgvglgvrsraqaaqiaqyadgvivgsalvtalteglprlraltge
    laagvrl
    

  • Chain 'F':
    No sequence available.

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >6du1G (G:)
    mvaveqseasrlgpvfdscrannraaligylptgypdvpasvaamtalvesgcdiievgv
    pysdpgmdgptiarateaalrggvrvrdtlaaveaisiaggravvmtywnpvlrygvdaf
    ardlaaagglglitpdlipdeaqqwlaaseehrldriflvapsstperlaatveasrgfv
    yaastmgvtgardavsqaapelvgrvkavsdipvgvglgvrsraqaaqiaqyadgvivgs
    alvtalteglprlraltgelaagvrlgmsahhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6du1G (G:)
    asrlgpvfdscrannraaligylptgypdvpasvaamtalvesgcdiievgvpysdpgmd
    gptiarateaalrggvrvrdtlaaveaisiaggravvmtywnpvlrygvdafardlaaag
    glglitpdlipdeaqqwlaaseehrldriflvapsstperlaatveasrgfvyaassqaa
    pelvgrvkavsdipvgvglgvrsraqaaqiaqyadgvivgsalvtalteglprlraltge
    laagvrl
    

  • Chain 'H':
    No sequence available.