1TO1

crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 Y61A mutant

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 510

Chain	Residue
E	GLN2
E	ASP41
E	LEU75
E	ASN77
E	ILE79
E	VAL81

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA E 511

Chain	Residue
E	HOH549
E	HOH651
E	GLY169
E	TYR171
E	VAL174

---

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE CIT E 512

Chain	Residue
E	ALA1
E	TYR21
E	LYS237
E	HIS238
E	HIS238
E	ASN240
E	TRP241
E	HIS276
E	HIS276
E	CIT513
E	HOH545
E	HOH598
E	HOH632
E	HOH824
E	HOH887
E	HOH888

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE CIT E 513

Chain	Residue
E	TRP241
E	GLN245
E	SER249
E	HIS276
E	HIS276
E	HIS278
E	CIT512
E	HOH740
E	HOH888
E	HOH913

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE E 514

Chain	Residue
E	HIS17
E	THR22
E	ASN76
E	ASN76
E	SER87

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 1PE E 515

Chain	Residue
E	ILE115
E	ASN118
E	MET119
E	SER145
E	VAL147
E	HOH676
E	HOH790

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 1PE I 516

Chain	Residue
E	ASN218
I	ALA61
I	ARG62
I	ILE63
I	ASP64
I	HOH579
I	HOH597

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 1PE E 517

Chain	Residue
E	VAL44
E	ALA45
E	GLY46
E	GLY47
E	PHE58
E	HOH829

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
E	VAL28-HIS39

---

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

Chain	Residue	Details
E	HIS64-ALA74

---

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. WPELVGksVeeA

Chain	Residue	Details
I	TRP24-ALA35

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	269
Details	Domain: {"description":"Peptidase S8","evidences":[{"source":"PROSITE-ProRule","id":"PRU01240","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PROSITE-ProRule","id":"PRU01240","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"5249818","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	9
Details	Binding site: {}

Chain

Residue

Details

---

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

---

site_id	MCSA1
Number of Residues	4
Details	M-CSA 723

Chain

Residue

Details

---