PDB entry 1pwu

View 1pwu on RCSB PDB site
Description: Crystal Structure of Anthrax Lethal Factor complexed with (3-(N-hydroxycarboxamido)-2-isobutylpropanoyl-Trp-methylamide), a known small molecule inhibitor of matrix metalloproteases.
Class: hydrolase
Keywords: Anthrax Toxin, Lethal Factor, small molecule peptidic inhibitor, hydroxamic acid., hydrolase
Deposited on 2003-07-02, released 2004-02-03
The last revision prior to the SCOPe 2.04 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: 0.235
AEROSPACI score: 0.25 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Lethal Factor
    Species: Bacillus anthracis [TaxId:1392]
    Gene: LEF OR PXO1-107
    Database cross-references and differences (RAF-indexed):
    • Uniprot P15917 (Start-775)
      • engineered (686)
    Domains in SCOPe 2.04: d1pwua1, d1pwua2, d1pwua3
  • Chain 'B':
    Compound: Lethal Factor
    Species: Bacillus anthracis [TaxId:1392]
    Gene: LEF OR PXO1-107
    Database cross-references and differences (RAF-indexed):
    • Uniprot P15917 (Start-775)
      • engineered (686)
    Domains in SCOPe 2.04: d1pwub1, d1pwub2, d1pwub3
  • Heterogens: ZN, GM6

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >1pwuA (A:)
agghgdvgmhvkekeknkdenkrkdeernktqeehlkeimkhivkievkgeeavkkeaae
kllekvpsdvlemykaiggkiyivdgditkhislealsedkkkikdiygkdallhehyvy
akegyepvlviqssedyventekalnvyyeigkilsrdilskinqpyqkfldvlntikna
sdsdgqdllftnqlkehptdfsvefleqnsnevqevfakafayyiepqhrdvlqlyapea
fnymdkfneqeinlsleelkdqrmlsryekwekikqhyqhwsdslseegrgllkklqipi
epkkddiihslsqeekellkriqidssdflsteekeflkklqidirdslseeekellnri
qvdssnplsekekeflkklkldiqpydinqrlqdtgglidspsinldvrkqykrdiqnid
allhqsigstlynkiylyenmninnltatlgadlvdstdntkinrgifnefkknfkysis
snymivdinerpaldnerlkwriqlspdtragylengklilqrnigleikdvqiikqsek
eyiridakvvpkskidtkiqeaqlninqewnkalglpkytklitfnvhnryasnivesay
lilnewknniqsdlikkvtnylvdgngrfvftditlpniaeqythqdeiyeqvhskglyv
pesrsillhgpskgvelrndsegfihcfghavddyagylldknqsdlvtnskkfidifke
egsnltsygrtneaeffaeafrlmhstdhaerlkvqknapktfqfindqikfiins

    Sequence, based on observed residues (ATOM records): (download) 
    >1pwuA (A:)
ktqeehlkeimkhivkievkgeeavkkeaaekllekvpsdvlemykaiggkiyivdgdit
khislealsedkkkikdiygkdallhehyvyakegyepvlviqssedyventekalnvyy
eigkilsrdilskinqpyqkfldvlntiknasdsdgqdllftnqlkehptdfsvefleqn
snevqevfakafayyiepqhrdvlqlyapeafnymdkfneqeinlsleelkdqrmlsrye
kwekikqhyqhwsdslseegrgllkklqipiepkkddiihslsqeekellkriqidssdf
lsteekeflkklqidirdslseeekellnriqvdssnplsekekeflkklkldiqpydin
qrlqdtgglidspsinldvrkqykrdiqnidallhqsigstlynkiylyenmninnltat
lgadlvdstdntkinrgifnefkknfkysissnymivdinerpaldnerlkwriqlspdt
ragylengklilqrnigleikdvqiikqsekeyiridakvvpkskidtkiqeaqlninqe
wnkalglpkytklitfnvhnryasnivesaylilnewknniqsdlikkvtnylvdgngrf
vftditlpniaeqythqdeiyeqvhskglyvpesrsillhgpskgvelrndsegfihcfg
havddyagylldknqsdlvtnskkfidifkeegsnltsygrtneaeffaeafrlmhstdh
aerlkvqknapktfqfindqikfiins

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >1pwuB (B:)
agghgdvgmhvkekeknkdenkrkdeernktqeehlkeimkhivkievkgeeavkkeaae
kllekvpsdvlemykaiggkiyivdgditkhislealsedkkkikdiygkdallhehyvy
akegyepvlviqssedyventekalnvyyeigkilsrdilskinqpyqkfldvlntikna
sdsdgqdllftnqlkehptdfsvefleqnsnevqevfakafayyiepqhrdvlqlyapea
fnymdkfneqeinlsleelkdqrmlsryekwekikqhyqhwsdslseegrgllkklqipi
epkkddiihslsqeekellkriqidssdflsteekeflkklqidirdslseeekellnri
qvdssnplsekekeflkklkldiqpydinqrlqdtgglidspsinldvrkqykrdiqnid
allhqsigstlynkiylyenmninnltatlgadlvdstdntkinrgifnefkknfkysis
snymivdinerpaldnerlkwriqlspdtragylengklilqrnigleikdvqiikqsek
eyiridakvvpkskidtkiqeaqlninqewnkalglpkytklitfnvhnryasnivesay
lilnewknniqsdlikkvtnylvdgngrfvftditlpniaeqythqdeiyeqvhskglyv
pesrsillhgpskgvelrndsegfihcfghavddyagylldknqsdlvtnskkfidifke
egsnltsygrtneaeffaeafrlmhstdhaerlkvqknapktfqfindqikfiins

    Sequence, based on observed residues (ATOM records): (download) 
    >1pwuB (B:)
eehlkeimkhivkievkgeeavkkeaaekllekvpsdvlemykaiggkiyivdgditkhi
slealsedkkkikdiygkdallhehyvyakegyepvlviqssedyventekalnvyyeig
kilsrdilskinqpyqkfldvlntiknasdsdgqdllftnqlkehptdfsvefleqnsne
vqevfakafayyiepqhrdvlqlyapeafnymdkfneqeinlsleelkdqrmlsryekwe
kikqhyqhwsdslseegrgllkklqipiepkkddiihslsqeekellkriqidssdflst
eekeflkklqidirdslseeekellnplsekekeflkklkldiqpydinqrlqdtgglid
spsinldvrkqykrdiqnidallhqsigstlynkiylyenmninnltatlgadlvdstdn
tkinrgifnefkknfkysissnymivdinerpaldnerlkwriqlspdtragylengkli
lqrnigleikdvqiikqsekeyiridakvvpkskidtkiqeaqlninqewnkalglpkyt
klitfnvhnryasnivesaylilnewknniqsdlikkvtnylvdgngrfvftditlpnia
eqythqdeiyeqvhskglyvpesrsillhgpskgvelrndsegfihcfghavddyagyll
dknqsdlvtnskkfidifkeegsnltsygrtneaeffaeafrlmhstdhaerlkvqknap
ktfqfindqikfiins