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 2.06 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 2.06: 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 2.06: 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