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1PWP

Crystal Structure of the Anthrax Lethal Factor complexed with Small Molecule Inhibitor NSC 12155

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0004222molecular_functionmetalloendopeptidase activity
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0006508biological_processproteolysis
A0008233molecular_functionpeptidase activity
A0008237molecular_functionmetallopeptidase activity
A0008270molecular_functionzinc ion binding
A0016787molecular_functionhydrolase activity
A0030430cellular_componenthost cell cytoplasm
A0035821biological_processmodulation of process of another organism
A0044164cellular_componenthost cell cytosol
A0046872molecular_functionmetal ion binding
A0090729molecular_functiontoxin activity
B0003824molecular_functioncatalytic activity
B0004222molecular_functionmetalloendopeptidase activity
B0005515molecular_functionprotein binding
B0005576cellular_componentextracellular region
B0006508biological_processproteolysis
B0008233molecular_functionpeptidase activity
B0008237molecular_functionmetallopeptidase activity
B0008270molecular_functionzinc ion binding
B0016787molecular_functionhydrolase activity
B0030430cellular_componenthost cell cytoplasm
B0035821biological_processmodulation of process of another organism
B0044164cellular_componenthost cell cytosol
B0046872molecular_functionmetal ion binding
B0090729molecular_functiontoxin activity
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN A 9001
ChainResidue
AHIS686
AHIS690
ATYR728
AGLU735
ANSC9002

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN B 9002
ChainResidue
BNSC9003
BHIS686
BHIS690
BTYR728
BGLU735

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE NSC A 9002
ChainResidue
AASP328
APHE329
ASER655
ATYR659
AGLU687
AHIS690
ATYR728
AGLU735
AZN9001

site_idAC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE NSC B 9003
ChainResidue
BSER655
BLYS656
BGLY657
BLEU658
BTYR659
BVAL675
BGLU687
BHIS690
BTYR728
BGLU735
BZN9002

Functional Information from PROSITE/UniProt
site_idPS00142
Number of Residues10
DetailsZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. GFIHEFGHAV
ChainResidueDetails
AGLY683-VAL692

Catalytic Information from CSA
site_idMCSA1
Number of Residues5
DetailsM-CSA 641
ChainResidueDetails
AHIS686metal ligand
AGLU687proton acceptor, proton donor
AHIS690metal ligand
ATYR728electrostatic stabiliser
AGLU735metal ligand

site_idMCSA2
Number of Residues5
DetailsM-CSA 641
ChainResidueDetails
BHIS686metal ligand
BGLU687proton acceptor, proton donor
BHIS690metal ligand
BTYR728electrostatic stabiliser
BGLU735metal ligand

218853

PDB entries from 2024-04-24

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