PDB entry 4xjp

View 4xjp 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
Class: transferase/transferase inhibitor
Keywords: Inhibitor Complex Transaminase PLP, transferase-transferase inhibitor complex
Deposited on 2015-01-08, released 2016-01-20
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-07-05, with a file datestamp of 2017-06-30.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: N/A
AEROSPACI score: 0.44 (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 2.07: d4xjpa_
  • 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 2.07: d4xjpb_
  • Heterogens: PLP, 41N, EDO, PEG, HOH

PDB Chain Sequences:

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

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

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

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