PDB entry 1pwq

View 1pwq on RCSB PDB site
Description: Crystal structure of Anthrax Lethal Factor complexed with Thioacetyl-Tyr-Pro-Met-Amide, a metal-chelating peptidyl small molecule inhibitor
Class: hydrolase
Keywords: Anthrax Toxin, Lethal Factor, metal-chelator, small molecule peptidic inhibitor, HYDROLASE
Deposited on 2003-07-02, released 2004-01-13
The last revision prior to the SCOPe 2.08 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 3.52 Å
R-factor: 0.228
AEROSPACI score: 0.1 (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 2.08: d1pwqa1, d1pwqa2, d1pwqa3
  • Chain 'B':
    Compound: Lethal Factor
    Species: Bacillus anthracis [TaxId:1392]
    Gene: lef
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d1pwqb1, d1pwqb2, d1pwqb3
  • Heterogens: ZN, SD2

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >1pwqA (A:)
ernktqeehlkeimkhivkievkgeeavkkeaaekllekvpsdvlemykaiggkiyivdg
ditkhislealsedkkkikdiygkdallhehyvyakegyepvlviqssedyventekaln
vyyeigkilsrdilskinqpyqkfldvlntiknasdsdgqdllftnqlkehptdfsvefl
eqnsnevqevfakafayyiepqhrdvlqlyapeafnymdkfneqeinlsleelkdqrmls
ryekwekikqhyqhwsdslseegrgllkklqipiepkkddiihslsqeekellkriqids
sdflsteekeflkklqidirsnplsekekeflkklkldiqpydinqrlqdtgglidspsi
nldvrkqykrdiqnidallhqsigstlynkiylyenmninnltatlgadlvdstdntkin
rgifnefkknfkysissnymivdinerpaldnerlkwriqlspdtragylengklilqrn
igleikdvqiikqsekeyiridakvvpkskidtkiqeaqlninqewnkalglpkytklit
fnvhnryasnivesaylilnewknniqsdlikkvtnylvdgngrfvftditlpniaeqyt
hqdeiyeqvhskglyvpesrsillhgpskgvelrndsegfihefghavddyagylldknq
sdlvtnskkfidifkeegsnltsygrtneaeffaeafrlmhstdhaerlkvqknapktfq
findqikfiins

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

    Sequence, based on observed residues (ATOM records): (download) 
    >1pwqB (B:)
ernktqeehlkeimkhivkievkgeeavkkeaaekllekvpsdvlemykaiggkiyivdg
ditkhislealsedkkkikdiygkdallhehyvyakegyepvlviqssedyventekaln
vyyeigkilsrdilskinqpyqkfldvlntiknasdsdgqdllftnqlkehptdfsvefl
eqnsnevqevfakafayyiepqhrdvlqlyapeafnymdkfneqeinlsleelkdqrmls
ryekwekikqhyqhwsdslseegrgllkklqipiepkkddiihslsqeekellkriqids
sdflsteekeflkklqidirdssnplsekekeflkklkldiqpydinqrlqdtgglidsp
sinldvrkqykrdiqnidallhqsigstlynkiylyenmninnltatlgadlvdstdntk
inrgifnefkknfkysissnymivdinerpaldnerlkwriqlspdtragylengklilq
rnigleikdvqiikqsekeyiridakvvpkskidtkiqeaqlninqewnkalglpkytkl
itfnvhnryasnivesaylilnewknniqsdlikkvtnylvdgngrfvftditlpniaeq
ythqdeiyeqvhskglyvpesrsillhgpskgvelrndsegfihefghavddyagylldk
nqsdlvtnskkfidifkeegsnltsygrtneaeffaeafrlmhstdhaerlkvqknapkt
fqfindqikfiins