PDB entry 3tfu

View 3tfu on RCSB PDB site
Description: Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, post-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor
Class: transferase/transferase inhibitor
Keywords: Transferase, Transferase-Transferase inhibitor complex
Deposited on 2011-08-16, released 2011-10-19
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-11-23, with a file datestamp of 2011-11-18.
Experiment type: XRAY
Resolution: 1.94 Å
R-factor: 0.182
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: bioA, MT1619, MTCY336.35c, Rv1568
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3tfua_
  • Chain 'B':
    Compound: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: bioA, MT1619, MTCY336.35c, Rv1568
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3tfub_
  • Heterogens: PL8, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3tfuA (A:)
    mgsshhhhhhssglvprgshmaaatggltpeqiiavdgahlwhpyssigreavspvvava
    ahgawltlirdgqpievldamsswwtaihghghpaldqalttqlrvmnhvmfgglthepa
    arlakllvditpagldtvffsdsgsvsvevaakmalqywrgrglpgkrrlmtwrggyhgd
    tflamsicdphggmhslwtdvlaaqvfapqvprdydpaysaafeaqlaqhagelaavvve
    pvvqgaggmrfhdprylhdlrdicrryevllifdeiatgfgrtgalfaadhagvspdimc
    vgkaltggylslaatlctadvahtisagaagalmhgptfmanplacavsvasvelllgqd
    wrtritelaagltagldtaralpavtdvrvcgaigviecdrpvdlavatpaaldrgvwlr
    pfrnlvyamppyictpaeitqitsamvevarlvgslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3tfuA (A:)
    gltpeqiiavdgahlwhpyssigreavspvvavaahgawltlirdgqpievldamsswwt
    aihghghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsv
    svevaakmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphlaaqvfapqvprdyd
    paysaafeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrryevllifdei
    atgfgrtgalfaadhagvspdimcvgkaltggylslaatlctadvahtisagaagalmhg
    ptfmanplacavsvasvelllgqdwrtritelaagltagldtaralpavtdvrvcgaigv
    iecdrpvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsamvevarlv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3tfuB (B:)
    mgsshhhhhhssglvprgshmaaatggltpeqiiavdgahlwhpyssigreavspvvava
    ahgawltlirdgqpievldamsswwtaihghghpaldqalttqlrvmnhvmfgglthepa
    arlakllvditpagldtvffsdsgsvsvevaakmalqywrgrglpgkrrlmtwrggyhgd
    tflamsicdphggmhslwtdvlaaqvfapqvprdydpaysaafeaqlaqhagelaavvve
    pvvqgaggmrfhdprylhdlrdicrryevllifdeiatgfgrtgalfaadhagvspdimc
    vgkaltggylslaatlctadvahtisagaagalmhgptfmanplacavsvasvelllgqd
    wrtritelaagltagldtaralpavtdvrvcgaigviecdrpvdlavatpaaldrgvwlr
    pfrnlvyamppyictpaeitqitsamvevarlvgslp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3tfuB (B:)
    gltpeqiiavdgahlwhpyssispvvavaahgawltlirdgqpievldamsswwtaihgh
    ghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsvsveva
    akmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphlaaqvfapqvprdydpaysa
    afeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrryevllifdeiatgfg
    rtgalfaadhagvspdimcvgkaltggylslaatlctadvahtisagaagalmhgptfma
    nplacavsvasvelllgqdwrtritelaagltagldtaralpavtdvrvcgaigviecdr
    pvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsamvevarlv