Structure of PDB 1pwp Chain B

Receptor sequence
>1pwpB (length=743) Species: 1392 (Bacillus anthracis) [Search protein sequence]
TQEEHLKEIMKHIVKIEVKGEEAVKKEAAEKLLEKVPSDVLEMYKAIGGK
IYIVDGDITKHISLEALSEDKKKIKDIYGKDALLHEHYVYAKEGYEPVLV
IQSSEDYVENTEKALNVYYEIGKILSRDILSKINQPYQKFLDVLNTIKNA
SDSDGQDLLFTNQLKEHPTDFSVEFLEQNSNEVQEVFAKAFAYYIEPQHR
DVLQLYAPEAFNYMDKFNEQEINLSLEELKDQRMLSRYEKWEKIKQHYQH
WSDSLSEEGRGLLKKLQIPIEPKKDDIIHSLSQEEKELLKRIQIDSSDFL
STEEKEFLKKLQIDIRDSLSEEEKELLNRDSSNPLSEKEKEFLKKLKLDI
QPYDINQRLQDTGGLIDSPSINLDVRKQYKRDIQNIDALLHQSIGSTLYN
KIYLYENMNINNLTATLGADLVDSTDNTKINRGIFNEFKKNFKYSISSNY
MIVDINERPALDNERLKWRIQLSPDTRAGYLENGKLILQRNIGLEIKDVQ
IIKQSEKEYIRIDAKVVPKSKIDTKIQEAQLNINQEWNKALGLPKYTKLI
TFNVHNRYASNIVESAYLILNEWKNNIQSDLIKKVTNYLVDGNGRFVFTD
ITLPNIAEQYTHQDEIYEQVHSKGLYVPESRSILLHGPSKGVELRNDSEG
FIHEFGHAVDDYAGYLLDKNQSDLVTNSKKFIDIFKEEGSNLTSYGRTNE
AEFFAEAFRLMHSTDHAERLKVQKNAPKTFQFINDQIKFIINS
3D structure
PDB1pwp Identification of small molecule inhibitors of anthrax lethal factor.
ChainB
Resolution2.9 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H686 E687 H690 Y728 E735
Catalytic site (residue number reindexed from 1) H653 E654 H657 Y695 E702
Enzyme Commision number 3.4.24.83: anthrax lethal factor endopeptidase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 ZN B H686 H690 E735 H653 H657 E702
BS02 NSC B S655 K656 G657 L658 Y659 V675 E687 H690 Y728 E735 S622 K623 G624 L625 Y626 V642 E654 H657 Y695 E702 BindingDB: Ki=500nM,IC50=3200nM
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004222 metalloendopeptidase activity
GO:0005515 protein binding
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0006508 proteolysis
GO:0035821 modulation of process of another organism
Cellular Component
GO:0005576 extracellular region
GO:0030430 host cell cytoplasm
GO:0044164 host cell cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1pwp, PDBe:1pwp, PDBj:1pwp
PDBsum1pwp
PubMed14718925
UniProtP15917|LEF_BACAN Lethal factor (Gene Name=lef)

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