PDB entry 1pwp

View 1pwp on RCSB PDB site
Description: Crystal Structure of the Anthrax Lethal Factor complexed with Small Molecule Inhibitor NSC 12155
Class: hydrolase
Keywords: Anthrax Toxin, Lethal Factor, small molecule inhibitor, HYDROLASE
Deposited on 2003-07-02, released 2004-01-13
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: 2.9 Å
R-factor: 0.223
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Lethal Factor
    Species: Bacillus anthracis [TaxId:1392]
    Gene: lef
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d1pwpa1, d1pwpa2, d1pwpa3
  • Chain 'B':
    Compound: Lethal Factor
    Species: Bacillus anthracis [TaxId:1392]
    Gene: lef
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d1pwpb1, d1pwpb2, d1pwpb3
  • Heterogens: ZN, NSC

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >1pwpA (A:)
ktqeehlkeimkhivkievkgeeavkkeaaekllekvpsdvlemykaiggkiyivdgdit
khislealsedkkkikdiygkdallhehyvyakegyepvlviqssedyventekalnvyy
eigkilsrdilskinqpyqkfldvlntiknasdsdgqdllftnqlkehptdfsvefleqn
snevqevfakafayyiepqhrdvlqlyapeafnymdkfneqeinlsleelkdqrmlsrye
kwekikqhyqhwsdslseegrgllkklqipiepkkddiihslsqeekellkriqidssdf
lsteekeflkklqidirdslsnplsekekeflkklkldiqpydinqrlqdtgglidspsi
nldvrkqykrdiqnidallhqsigstlynkiylyenmninnltatlgadlvdstdntkin
rgifnefkknfkysissnymivdinerpaldnerlkwriqlspdtragylengklilqrn
igleikdvqiikqsekeyiridakvvpkskidtkiqeaqlninqewnkalglpkytklit
fnvhnryasnivesaylilnewknniqsdlikkvtnylvdgngrfvftditlpniaeqyt
hqdeiyeqvhskglyvpesrsillhgpskgvelrndsegfihefghavddyagylldknq
sdlvtnskkfidifkeegsnltsygrtneaeffaeafrlmhstdhaerlkvqknapktfq
findqikfiins

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

    Sequence, based on observed residues (ATOM records): (download) 
    >1pwpB (B:)
tqeehlkeimkhivkievkgeeavkkeaaekllekvpsdvlemykaiggkiyivdgditk
hislealsedkkkikdiygkdallhehyvyakegyepvlviqssedyventekalnvyye
igkilsrdilskinqpyqkfldvlntiknasdsdgqdllftnqlkehptdfsvefleqns
nevqevfakafayyiepqhrdvlqlyapeafnymdkfneqeinlsleelkdqrmlsryek
wekikqhyqhwsdslseegrgllkklqipiepkkddiihslsqeekellkriqidssdfl
steekeflkklqidirdslseeekellnrdssnplsekekeflkklkldiqpydinqrlq
dtgglidspsinldvrkqykrdiqnidallhqsigstlynkiylyenmninnltatlgad
lvdstdntkinrgifnefkknfkysissnymivdinerpaldnerlkwriqlspdtragy
lengklilqrnigleikdvqiikqsekeyiridakvvpkskidtkiqeaqlninqewnka
lglpkytklitfnvhnryasnivesaylilnewknniqsdlikkvtnylvdgngrfvftd
itlpniaeqythqdeiyeqvhskglyvpesrsillhgpskgvelrndsegfihefghavd
dyagylldknqsdlvtnskkfidifkeegsnltsygrtneaeffaeafrlmhstdhaerl
kvqknapktfqfindqikfiins