1TM1

CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' WITH CHYMOTRYPSIN INHIBITOR 2

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 520

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 521

Chain	Residue
E	HOH560
E	HOH664
E	GLY169
E	TYR171
E	VAL174

---

site_id	AC3
Number of Residues	15
Details	BINDING SITE FOR RESIDUE CIT E 522

Chain	Residue
E	ALA1
E	TYR21
E	LYS237
E	HIS238
E	HIS238
E	ASN240
E	TRP241
E	HIS276
E	HIS276
E	CIT523
E	HOH556
E	HOH610
E	HOH645
E	HOH844
E	HOH932

---

site_id	AC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE CIT E 523

Chain	Residue
E	TRP241
E	GLN245
E	HIS276
E	HIS276
E	CIT522
E	HOH588
E	HOH610
E	HOH753
E	HOH829
E	HOH844
E	HOH916
E	HOH932
E	HOH933

---

site_id	AC5
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CIT E 524

Chain	Residue
E	PRO172
E	GLY211
E	LYS213
E	ARG247
E	HOH563
E	HOH589
E	HOH614
E	HOH648
E	HOH712
E	HOH738
E	HOH800
E	HOH851
E	HOH864
E	HOH887

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 1PE E 525

Chain	Residue
E	HIS17
E	THR22
E	ASN76
E	ASN76
E	HOH840
E	HOH913

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE 1PE E 526

Chain	Residue
E	SER145
E	1PE527
E	HOH689
E	HOH790

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 1PE E 527

Chain	Residue
E	ILE115
E	ASN118
E	MET119
E	SER145
E	1PE526
E	HOH790

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 1PE E 528

Chain	Residue
E	SER37
E	VAL44
E	ALA45
E	GLY47
E	PHE58

---

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

---