2SEC

STRUCTURAL COMPARISON OF TWO SERINE PROTEINASE-PROTEIN INHIBITOR COMPLEXES. EGLIN-C-SUBTILISIN CARLSBERG AND CI-2-SUBTILISIN NOVO

Replaces:  1SEC

Functional Information from GO Data

Chain	GOid	namespace	contents
E	0004252	molecular_function	serine-type endopeptidase activity
E	0006508	biological_process	proteolysis
E	0008236	molecular_function	serine-type peptidase activity
I	0004867	molecular_function	serine-type endopeptidase inhibitor activity
I	0009611	biological_process	response to wounding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 276

Chain	Residue
E	GLN2
E	ASP41
E	LEU75
E	ASN77
E	THR79
E	VAL81

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site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA E 277

Chain	Residue
E	ALA169
E	TYR171
E	VAL174
E	HOH361
E	HOH430

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site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA E 278

Chain	Residue
E	ALA37
E	HIS39
E	LEU42

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site_id	ACT
Number of Residues	3
Details	catalytic site

Chain	Residue
E	ASP32
E	HIS64
E	SER221

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site_id	IO1
Number of Residues	6
Details	ion binding site

Chain	Residue
E	GLN2
E	ASP41
E	LEU75
E	ASN77
E	THR79
E	VAL81

---

site_id	IO2
Number of Residues	5
Details	ion binding site

Chain	Residue
E	ALA169
E	TYR171
E	VAL174
E	HOH361
E	HOH430

---

site_id	IO3
Number of Residues	5
Details	ion binding site

Chain	Residue
E	ALA37
E	HIS39
E	LEU42
E	HOH373
E	HOH463

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site_id	RSB
Number of Residues	2
Details	inhibitor reactive site

Chain	Residue
I	LEU59
I	ASP60

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Functional Information from PROSITE/UniProt

site_id	PS00136
Number of Residues	12
Details	SUBTILASE_ASP Serine proteases, subtilase family, aspartic acid active site. VAVLDTGIqasH

Chain	Residue	Details
E	VAL28-HIS39

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site_id	PS00137
Number of Residues	11
Details	SUBTILASE_HIS Serine proteases, subtilase family, histidine active site. HGThVAGtVAA

Chain	Residue	Details
E	HIS64-ALA74

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site_id	PS00138
Number of Residues	11
Details	SUBTILASE_SER Serine proteases, subtilase family, serine active site. GTSmAsPhVAG

Chain	Residue	Details
E	GLY219-GLY229

---

site_id	PS00285
Number of Residues	12
Details	POTATO_INHIBITOR Potato inhibitor I family signature. FPEVVGktVdqA

Chain	Residue	Details
I	PHE24-ALA35

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	SITE: Reactive bond

Chain	Residue	Details
I	LEU59
E	HIS64
E	SER221

---

site_id	SWS_FT_FI2
Number of Residues	9
Details	BINDING: BINDING => ECO:0000269|PubMed:8512925

Chain	Residue	Details
E	GLN2
E	ASP41
E	LEU75
E	ASN77
E	THR79
E	VAL81
E	ALA169
E	TYR171
E	VAL174

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1sca

Chain	Residue	Details
E	SER221
E	HIS64
E	ASP32

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