1PVJ
Crystal structure of the Streptococcal pyrogenic exotoxin B (SpeB)- inhibitor complex
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| A | 0005576 | cellular_component | extracellular region |
| A | 0006508 | biological_process | proteolysis |
| A | 0008234 | molecular_function | cysteine-type peptidase activity |
| A | 0030430 | cellular_component | host cell cytoplasm |
| A | 0034050 | biological_process | symbiont-induced defense-related programmed cell death |
| A | 0042783 | biological_process | evasion of host immune response |
| A | 0043655 | cellular_component | host extracellular space |
| A | 0044164 | cellular_component | host cell cytosol |
| A | 0052035 | biological_process | obsolete positive regulation by symbiont of host inflammatory response |
| A | 0090729 | molecular_function | toxin activity |
| A | 0140321 | biological_process | symbiont-mediated suppression of host autophagy |
| B | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| B | 0005576 | cellular_component | extracellular region |
| B | 0006508 | biological_process | proteolysis |
| B | 0008234 | molecular_function | cysteine-type peptidase activity |
| B | 0030430 | cellular_component | host cell cytoplasm |
| B | 0034050 | biological_process | symbiont-induced defense-related programmed cell death |
| B | 0042783 | biological_process | evasion of host immune response |
| B | 0043655 | cellular_component | host extracellular space |
| B | 0044164 | cellular_component | host cell cytosol |
| B | 0052035 | biological_process | obsolete positive regulation by symbiont of host inflammatory response |
| B | 0090729 | molecular_function | toxin activity |
| B | 0140321 | biological_process | symbiont-mediated suppression of host autophagy |
| C | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| C | 0005576 | cellular_component | extracellular region |
| C | 0006508 | biological_process | proteolysis |
| C | 0008234 | molecular_function | cysteine-type peptidase activity |
| C | 0030430 | cellular_component | host cell cytoplasm |
| C | 0034050 | biological_process | symbiont-induced defense-related programmed cell death |
| C | 0042783 | biological_process | evasion of host immune response |
| C | 0043655 | cellular_component | host extracellular space |
| C | 0044164 | cellular_component | host cell cytosol |
| C | 0052035 | biological_process | obsolete positive regulation by symbiont of host inflammatory response |
| C | 0090729 | molecular_function | toxin activity |
| C | 0140321 | biological_process | symbiont-mediated suppression of host autophagy |
| D | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| D | 0005576 | cellular_component | extracellular region |
| D | 0006508 | biological_process | proteolysis |
| D | 0008234 | molecular_function | cysteine-type peptidase activity |
| D | 0030430 | cellular_component | host cell cytoplasm |
| D | 0034050 | biological_process | symbiont-induced defense-related programmed cell death |
| D | 0042783 | biological_process | evasion of host immune response |
| D | 0043655 | cellular_component | host extracellular space |
| D | 0044164 | cellular_component | host cell cytosol |
| D | 0052035 | biological_process | obsolete positive regulation by symbiont of host inflammatory response |
| D | 0090729 | molecular_function | toxin activity |
| D | 0140321 | biological_process | symbiont-mediated suppression of host autophagy |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE ZFB A 450 |
| Chain | Residue |
| A | GLU115 |
| A | GLY339 |
| A | HIS340 |
| A | TRP359 |
| A | ASN116 |
| A | GLN162 |
| A | ALA189 |
| A | CYS192 |
| A | SER279 |
| A | SER280 |
| A | GLY281 |
| A | VAL337 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE ZFB B 450 |
| Chain | Residue |
| B | GLU115 |
| B | ASN116 |
| B | GLN162 |
| B | ALA189 |
| B | CYS192 |
| B | SER279 |
| B | SER280 |
| B | GLY281 |
| B | VAL337 |
| B | GLY339 |
| B | HIS340 |
| B | TRP359 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE ZFB C 450 |
| Chain | Residue |
| C | GLU115 |
| C | ASN116 |
| C | GLN162 |
| C | ALA189 |
| C | CYS192 |
| C | SER279 |
| C | SER280 |
| C | GLY281 |
| C | VAL337 |
| C | GLY339 |
| C | HIS340 |
| C | TRP359 |
| site_id | AC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE ZFB D 450 |
| Chain | Residue |
| D | GLU115 |
| D | ASN116 |
| D | GLN162 |
| D | ALA189 |
| D | CYS192 |
| D | SER279 |
| D | SER280 |
| D | GLY281 |
| D | VAL337 |
| D | GLY339 |
| D | HIS340 |
| D | TRP359 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile => ECO:0000269|PubMed:19712682, ECO:0000269|PubMed:22645124, ECO:0000305|PubMed:8675287 |
| Chain | Residue | Details |
| A | CYS192 | |
| B | CYS192 | |
| C | CYS192 | |
| D | CYS192 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000269|PubMed:19712682 |
| Chain | Residue | Details |
| A | HIS340 | |
| B | HIS340 | |
| C | HIS340 | |
| D | HIS340 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22645124, ECO:0007744|PDB:4D8E |
| Chain | Residue | Details |
| A | GLN162 | |
| D | GLN162 | |
| D | SER282 | |
| D | HIS340 | |
| A | SER282 | |
| A | HIS340 | |
| B | GLN162 | |
| B | SER282 | |
| B | HIS340 | |
| C | GLN162 | |
| C | SER282 | |
| C | HIS340 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: covalent => ECO:0000269|PubMed:19712682, ECO:0000269|PubMed:22645124, ECO:0007744|PDB:2UZJ, ECO:0007744|PDB:4D8E |
| Chain | Residue | Details |
| A | CYS192 | |
| B | CYS192 | |
| C | CYS192 | |
| D | CYS192 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:22645124, ECO:0007744|PDB:4D8I |
| Chain | Residue | Details |
| A | GLY339 | |
| B | GLY339 | |
| C | GLY339 | |
| D | GLY339 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 20 |
| Details | SITE: Cleavage; by autolysis => ECO:0000269|PubMed:10429198 |
| Chain | Residue | Details |
| A | LYS53 | |
| B | LYS145 | |
| C | LYS53 | |
| C | ASN68 | |
| C | LYS129 | |
| C | ALA139 | |
| C | LYS145 | |
| D | LYS53 | |
| D | ASN68 | |
| D | LYS129 | |
| D | ALA139 | |
| A | ASN68 | |
| D | LYS145 | |
| A | LYS129 | |
| A | ALA139 | |
| A | LYS145 | |
| B | LYS53 | |
| B | ASN68 | |
| B | LYS129 | |
| B | ALA139 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | MOD_RES: Cysteine methyl disulfide; in zymogen form => ECO:0000269|PubMed:6381494 |
| Chain | Residue | Details |
| A | CYS192 | |
| B | CYS192 | |
| C | CYS192 | |
| D | CYS192 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dki |
| Chain | Residue | Details |
| A | CYS192 | |
| A | HIS340 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dki |
| Chain | Residue | Details |
| B | CYS192 | |
| B | HIS340 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dki |
| Chain | Residue | Details |
| C | CYS192 | |
| C | HIS340 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dki |
| Chain | Residue | Details |
| D | CYS192 | |
| D | HIS340 |
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 598 |
| Chain | Residue | Details |
| A | CYS192 | |
| A | HIS340 | proton shuttle (general acid/base) |
| A | TRP357 |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 598 |
| Chain | Residue | Details |
| B | CYS192 | |
| B | HIS340 | proton shuttle (general acid/base) |
| B | TRP357 |
| site_id | MCSA3 |
| Number of Residues | 3 |
| Details | M-CSA 598 |
| Chain | Residue | Details |
| C | CYS192 | |
| C | HIS340 | proton shuttle (general acid/base) |
| C | TRP357 |
| site_id | MCSA4 |
| Number of Residues | 3 |
| Details | M-CSA 598 |
| Chain | Residue | Details |
| D | CYS192 | |
| D | HIS340 | proton shuttle (general acid/base) |
| D | TRP357 |
