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 2.06 freeze date was dated 2015-07-22, with a file datestamp of 2015-07-17.
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 2.06: 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 2.06: 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 2.06: 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 2.06: 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