PDB entry 5kgt

View 5kgt on RCSB PDB site
Description: Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone
Class: Transferase/Transferase inhibitor
Keywords: transaminase, PLP, Transferase, Transferase-inhibitor complex, Transferase-Transferase inhibitor complex
Deposited on 2016-06-13, released 2017-06-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-09-20, with a file datestamp of 2017-09-15.
Experiment type: XRAY
Resolution: 2.25 Å
R-factor: N/A
AEROSPACI score: 0.25 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
    Species: Mycobacterium bovis (strain ATCC BAA-935 / AF2122/97) [TaxId:233413]
    Gene: bioA, Mb1595
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5kgta_
  • Chain 'B':
    Compound: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
    Species: Mycobacterium bovis (strain ATCC BAA-935 / AF2122/97) [TaxId:233413]
    Gene: bioA, Mb1595
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5kgtb_
  • Heterogens: PLP, 6SQ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5kgtA (A:)
    mgsshhhhhhssglvprgshmaaatggltpeqiiavdgahlwhpyssigreavspvvava
    ahgawltlirdgqpievldamsswwtaihghghpaldqalttqlrvmnhvmfgglthepa
    arlakllvditpagldtvffsdsgsvsvevaakmalqywrgrglpgkrrlmtwrggyhgd
    tflamsicdphggmhslwtdvlaaqvfapqvprdydpaysaafeaqlaqhagelaavvve
    pvvqgaggmrfhdprylhdlrdicrryevllifdeiatgfgrtgalfaadhagvspdimc
    vgkaltggylslaatlctadvahtisagaagalmhgptfmanplacavsvasvelllgqd
    wrtritelaagltagldtaralpavtdvrvcgaigviecdrpvdlavatpaaldrgvwlr
    pfrnlvyamppyictpaeitqitsamvevarlvgslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >5kgtA (A:)
    ltpeqiiavdgahlwhpyssigreavspvvavaahgawltlirdgqpievldamsswwta
    ihghghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsvs
    vevaakmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphggmhslwtdvlaaqvf
    apqvprdydpaysaafeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrry
    evllifdeiatgfgrtgalfaadhagvspdimcvgkaltggylslaatlctadvahtisa
    gaagalmhgptfmanplacavsvasvelllgqdwrtritelaagltagldtaralpavtd
    vrvcgaigviecdrpvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsamv
    evarlvgsl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5kgtB (B:)
    mgsshhhhhhssglvprgshmaaatggltpeqiiavdgahlwhpyssigreavspvvava
    ahgawltlirdgqpievldamsswwtaihghghpaldqalttqlrvmnhvmfgglthepa
    arlakllvditpagldtvffsdsgsvsvevaakmalqywrgrglpgkrrlmtwrggyhgd
    tflamsicdphggmhslwtdvlaaqvfapqvprdydpaysaafeaqlaqhagelaavvve
    pvvqgaggmrfhdprylhdlrdicrryevllifdeiatgfgrtgalfaadhagvspdimc
    vgkaltggylslaatlctadvahtisagaagalmhgptfmanplacavsvasvelllgqd
    wrtritelaagltagldtaralpavtdvrvcgaigviecdrpvdlavatpaaldrgvwlr
    pfrnlvyamppyictpaeitqitsamvevarlvgslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >5kgtB (B:)
    gltpeqiiavdgahlwhpyssigreavspvvavaahgawltlirdgqpievldamsswwt
    aihghghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsv
    svevaakmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphggmhslwtdvlaaqv
    fapqvprdydpaysaafeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrr
    yevllifdeiatgfgrtgalfaadhagvspdimcvgkaltggylslaatlctadvahtis
    agaagalmhgptfmanplacavsvasvelllgqdwrtritelaagltagldtaralpavt
    dvrvcgaigviecdrpvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsam
    vevarlvgs