PDB entry 4w1w

View 4w1w on RCSB PDB site
Description: Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 7-(diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one
Class: transferase/transferase inhibitor
Keywords: Inhibitor Complex Transaminase PLP, transferase-transferase inhibitor complex
Deposited on 2014-08-13, released 2015-02-04
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-22, with a file datestamp of 2017-11-17.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: N/A
AEROSPACI score: 0.34 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
    Species: Mycobacterium tuberculosis [TaxId:83331]
    Gene: bioA, MT1619
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4w1wa_
  • Chain 'B':
    Compound: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
    Species: Mycobacterium tuberculosis [TaxId:83331]
    Gene: bioA, MT1619
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4w1wb_
  • Heterogens: PLP, 3G8, EDO, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4w1wA (A:)
    ltpeqiiavdgahlwhpyssigreavspvvavaahgawltlirdgqpievldamsswwta
    ihghghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsvs
    vevaakmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphggmhslwtdvlaaqvf
    apqvprdydpaysaafeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrry
    evllifdeiatgfgrtgalfaadhagvspdimcvgkaltggylslaatlctadvahtisa
    gaagalmhgptfmanplacavsvasvelllgqdwrtritelaagltagldtaralpavtd
    vrvcgaigviecdrpvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsamv
    evarlvgsl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4w1wB (B:)
    ltpeqiiavdgahlwhpyssigreavspvvavaahgawltlirdgqpievldamsswwta
    ihghghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsvs
    vevaakmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphggmhslwtdvlaaqvf
    apqvprdydpaysaafeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrry
    evllifdeiatgfgrtgalfaadhagvspdimcvgkaltggylslaatlctadvahtisa
    gaagalmhgptfmanplacavsvasvelllgqdwrtritelaagltagldtaralpavtd
    vrvcgaigviecdrpvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsamv
    evarlvgsl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4w1wB (B:)
    ltpeqiiavdgahlwhpyssigreavspvvavaahgawltlirdgqpievldamsswwta
    ihghghpaldqalttqlrvmnhvmfgglthepaarlakllvditpagldtvffsdsgsvs
    vevaakmalqywrgrglpgkrrlmtwrggyhgdtflamsicdphggmhslwtdvlaaqvf
    apqvprdydpaysaafeaqlaqhagelaavvvepvvqgaggmrfhdprylhdlrdicrry
    evllifdeiatgfgrtgalfaadhagvspdimcvgkaltggylslaatlctadvahtisa
    gaagalmhgptfmanplacavsvasvelllgqdwrtritelaagltagldtaralpavtd
    vrvcgaigviecdrpvdlavatpaaldrgvwlrpfrnlvyamppyictpaeitqitsamv
    evarlvgs