Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1DKI

CRYSTAL STRUCTURE OF THE ZYMOGEN FORM OF STREPTOCOCCAL PYROGENIC EXOTOXIN B ACTIVE SITE (C47S) MUTANT

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	0008233	molecular_function	peptidase activity
A	0008234	molecular_function	cysteine-type peptidase activity
A	0016787	molecular_function	hydrolase activity
A	0030430	cellular_component	host cell cytoplasm
A	0034050	biological_process	symbiont-induced defense-related programmed cell death
A	0035893	biological_process	obsolete suppression of platelet aggregation in another organism
A	0042783	biological_process	symbiont-mediated 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	0008233	molecular_function	peptidase activity
B	0008234	molecular_function	cysteine-type peptidase activity
B	0016787	molecular_function	hydrolase activity
B	0030430	cellular_component	host cell cytoplasm
B	0034050	biological_process	symbiont-induced defense-related programmed cell death
B	0035893	biological_process	obsolete suppression of platelet aggregation in another organism
B	0042783	biological_process	symbiont-mediated 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	0008233	molecular_function	peptidase activity
C	0008234	molecular_function	cysteine-type peptidase activity
C	0016787	molecular_function	hydrolase activity
C	0030430	cellular_component	host cell cytoplasm
C	0034050	biological_process	symbiont-induced defense-related programmed cell death
C	0035893	biological_process	obsolete suppression of platelet aggregation in another organism
C	0042783	biological_process	symbiont-mediated 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	0008233	molecular_function	peptidase activity
D	0008234	molecular_function	cysteine-type peptidase activity
D	0016787	molecular_function	hydrolase activity
D	0030430	cellular_component	host cell cytoplasm
D	0034050	biological_process	symbiont-induced defense-related programmed cell death
D	0035893	biological_process	obsolete suppression of platelet aggregation in another organism
D	0042783	biological_process	symbiont-mediated 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	7
Details	BINDING SITE FOR RESIDUE SO4 A 1001

Chain	Residue
A	GLN17
A	SER47
A	GLU88
A	ASN89
A	HIS195
A	HOH1027
A	HOH1045

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 B 1002

Chain	Residue
B	GLU88
B	ASN89
B	HIS195
B	HOH1004
B	HOH1094
B	GLN17
B	SER47

site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 C 1003

Chain	Residue
C	GLN17
C	SER47
C	GLU88
C	ASN89
C	SER135
C	HIS195
C	HOH1018
C	HOH1076
C	HOH1087

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 D 1004

Chain	Residue
D	GLN17
D	SER47
D	GLU88
D	ASN89
D	HIS195
D	HOH1060
D	HOH1095
D	HOH1206

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"19712682","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22645124","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8675287","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"19712682","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22645124","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4D8E","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"description":"covalent","evidences":[{"source":"PubMed","id":"19712682","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22645124","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2UZJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4D8E","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22645124","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"4D8I","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	9
Details	Site: {"description":"Cleavage; by autolysis","evidences":[{"source":"PubMed","id":"10429198","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	4
Details	Modified residue: {"description":"Cysteine methyl disulfide; in zymogen form","evidences":[{"source":"PubMed","id":"6381494","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	a catalytic site defined by CSA, PubMed 10816533, 10681429

Chain	Residue	Details
A	SER47
A	SER47
A	HIS195

site_id	CSA2
Number of Residues	3
Details	a catalytic site defined by CSA, PubMed 10816533, 10681429

Chain	Residue	Details
B	SER47
B	SER47
B	HIS195

site_id	CSA3
Number of Residues	3
Details	a catalytic site defined by CSA, PubMed 10816533, 10681429

Chain	Residue	Details
C	SER47
C	SER47
C	HIS195

site_id	CSA4
Number of Residues	3
Details	a catalytic site defined by CSA, PubMed 10816533, 10681429

Chain	Residue	Details
D	SER47
D	SER47
D	HIS195

site_id	MCSA1
Number of Residues	3
Details	M-CSA 598

Chain	Residue	Details
A	SER47
A	HIS195	proton shuttle (general acid/base)
A	TRP212

site_id	MCSA2
Number of Residues	3
Details	M-CSA 598

Chain	Residue	Details
B	SER47
B	HIS195	proton shuttle (general acid/base)
B	TRP212

site_id	MCSA3
Number of Residues	3
Details	M-CSA 598

Chain	Residue	Details
C	SER47
C	HIS195	proton shuttle (general acid/base)
C	TRP212

site_id	MCSA4
Number of Residues	3
Details	M-CSA 598

Chain	Residue	Details
D	SER47
D	HIS195	proton shuttle (general acid/base)
D	TRP212

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)