PDB entry 4wya

View 4wya on RCSB PDB site
Description: Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a fragment hit
Class: transferase/transferase inhibitor
Keywords: Inhibitor Complex Transaminase PLP, transferase-transferase inhibitor complex
Deposited on 2014-11-17, released 2015-07-15
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-22, with a file datestamp of 2017-11-17.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: N/A
AEROSPACI score: 0.2 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: bioA, Rv1568, MTCY336.35c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4wyaa_
  • Chain 'B':
    Compound: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: bioA, Rv1568, MTCY336.35c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4wyab_
  • Chain 'C':
    Compound: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: bioA, Rv1568, MTCY336.35c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4wyac_
  • Chain 'D':
    Compound: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
    Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
    Gene: bioA, Rv1568, MTCY336.35c
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4wyad_
  • Heterogens: PLP, 3VQ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4wyaA (A:)
    mgsshhhhhhssglvprgshmaaatggltpeqiiavdgahlwhpyssigreavspvvava
    ahgawltlirdgqpievldamsswwtaihghghpaldqalttqlrvmnhvmfgglthepa
    arlakllvditpagldtvffsdsgsvsvevaakmalqywrgrglpgkrrlmtwrggyhgd
    tflamsicdphggmhslwtdvlaaqvfapqvprdydpaysaafeaqlaqhagelaavvve
    pvvqgaggmrfhdprylhdlrdicrryevllifdeiatgfgrtgalfaadhagvspdimc
    vgkaltggylslaatlctadvahtisagaagalmhgptfmanplacavsvasvelllgqd
    wrtritelaagltagldtaralpavtdvrvcgaigviecdrpvdlavatpaaldrgvwlr
    pfrnlvyamppyictpaeitqitsamvevarlvgslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4wyaA (A:)
    gltpeqiiavdgahlwhpyssigreavspvvavaahgawltlirdgqpievldamsswwt
    aihghghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsv
    svevaakmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphggtdvlaaqvfapqv
    prdydpaysaafeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrryevll
    ifdeiatgfgrtgalfaadhagvspdimcvgkaltggylslaatlctadvahtisaggal
    mhgptfmanplacavsvasvelllgqdwrtritelaagltagldtaralpavtdvrvcga
    igviecdrpvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsamvevarlv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4wyaB (B:)
    mgsshhhhhhssglvprgshmaaatggltpeqiiavdgahlwhpyssigreavspvvava
    ahgawltlirdgqpievldamsswwtaihghghpaldqalttqlrvmnhvmfgglthepa
    arlakllvditpagldtvffsdsgsvsvevaakmalqywrgrglpgkrrlmtwrggyhgd
    tflamsicdphggmhslwtdvlaaqvfapqvprdydpaysaafeaqlaqhagelaavvve
    pvvqgaggmrfhdprylhdlrdicrryevllifdeiatgfgrtgalfaadhagvspdimc
    vgkaltggylslaatlctadvahtisagaagalmhgptfmanplacavsvasvelllgqd
    wrtritelaagltagldtaralpavtdvrvcgaigviecdrpvdlavatpaaldrgvwlr
    pfrnlvyamppyictpaeitqitsamvevarlvgslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4wyaB (B:)
    gltpeqiiavdgahlwhpyssigrespvvavaahgawltlirdgqpievldamsswwtai
    hghghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsvsv
    evaakmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphghslwdvlaaqvfapqv
    prdydpaysaafeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrryevll
    ifdeiatgfgrtgalfaadhagvspdimcvgkaltggylslaatlctadvahtisagaag
    almhgptfmanplacavsvasvelllgqdwrtritelaagltagldtaralpavtdvrvc
    gaigviecdrpvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsamvevar
    lv
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4wyaC (C:)
    mgsshhhhhhssglvprgshmaaatggltpeqiiavdgahlwhpyssigreavspvvava
    ahgawltlirdgqpievldamsswwtaihghghpaldqalttqlrvmnhvmfgglthepa
    arlakllvditpagldtvffsdsgsvsvevaakmalqywrgrglpgkrrlmtwrggyhgd
    tflamsicdphggmhslwtdvlaaqvfapqvprdydpaysaafeaqlaqhagelaavvve
    pvvqgaggmrfhdprylhdlrdicrryevllifdeiatgfgrtgalfaadhagvspdimc
    vgkaltggylslaatlctadvahtisagaagalmhgptfmanplacavsvasvelllgqd
    wrtritelaagltagldtaralpavtdvrvcgaigviecdrpvdlavatpaaldrgvwlr
    pfrnlvyamppyictpaeitqitsamvevarlvgslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4wyaC (C:)
    gltpeqiiavdgahlwhpyssigrspvvavaahgawltlirdgqpievldamsswwtaih
    ghghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsvsve
    vaakmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphgtdvlaaqvfapqvprdy
    dpaysaafeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrryevllifde
    iatgfgrtgalfaadhagvspdimcvgkaltggylslaatlctadvahtisagaagalmh
    gptfmanplacavsvasvelllgqdwrtritelaagltagldtaralpavtdvrvcgaig
    viecdrpvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsamvevarlvg
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4wyaD (D:)
    mgsshhhhhhssglvprgshmaaatggltpeqiiavdgahlwhpyssigreavspvvava
    ahgawltlirdgqpievldamsswwtaihghghpaldqalttqlrvmnhvmfgglthepa
    arlakllvditpagldtvffsdsgsvsvevaakmalqywrgrglpgkrrlmtwrggyhgd
    tflamsicdphggmhslwtdvlaaqvfapqvprdydpaysaafeaqlaqhagelaavvve
    pvvqgaggmrfhdprylhdlrdicrryevllifdeiatgfgrtgalfaadhagvspdimc
    vgkaltggylslaatlctadvahtisagaagalmhgptfmanplacavsvasvelllgqd
    wrtritelaagltagldtaralpavtdvrvcgaigviecdrpvdlavatpaaldrgvwlr
    pfrnlvyamppyictpaeitqitsamvevarlvgslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4wyaD (D:)
    gltpeqiiavdgahlwhpyssigspvvavaahgawltlirdgqpievldamsswwtaihg
    hghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsvsvev
    aakmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphglaaqvfapqvprdydpay
    saafeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrryevllifdeiatg
    fgrtgalfaadhagvspdimcvgkaltggylslaatlctadvahtisagaagalmhgptf
    manplacavsvasvelllgqdwrtritelaagltagldtaralpavtdvrvcgaigviec
    drpvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsamvevarlv