PDB entry 4xew

View 4xew on RCSB PDB site
Description: Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
Class: transferase/transferase inhibitor
Keywords: Inhibitor Complex Transaminase PLP, transferase-transferase inhibitor complex
Deposited on 2014-12-25, released 2015-07-08
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-07-22, with a file datestamp of 2015-07-17.
Experiment type: XRAY
Resolution: 2.47 Å
R-factor: N/A
AEROSPACI score: 0.21 (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 2.06: d4xewa_
  • 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 2.06: d4xewb_
  • Heterogens: PLP, 40N, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4xewA (A:)
ltpeqiiavdgahlwhpyssigreavspvvavaahgawltlirdgqpievldamsswwta
ihghghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsvs
vevaakmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphggmhslwtdvlaaqvf
apqvprdydpaysaafeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrry
evllifdeiatgfgrtgalfaadhagvspdimcvgkaltggylslaatlctadvahtisa
gaagalmhgptfmanplacavsvasvelllgqdwrtritelaagltagldtaralpavtd
vrvcgaigviecdrpvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsamv
evarlvgs

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4xewB (B:)
ltpeqiiavdgahlwhpyssigreavspvvavaahgawltlirdgqpievldamsswwta
ihghghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsvs
vevaakmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphggmhslwtdvlaaqvf
apqvprdydpaysaafeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrry
evllifdeiatgfgrtgalfaadhagvspdimcvgkaltggylslaatlctadvahtisa
gaagalmhgptfmanplacavsvasvelllgqdwrtritelaagltagldtaralpavtd
vrvcgaigviecdrpvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsamv
evarlvgs