2PWA

Crystal Structure of the complex of Proteinase K with Alanine Boronic acid at 0.83A resolution

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004252	molecular_function	serine-type endopeptidase activity
A	0006508	biological_process	proteolysis
A	0008236	molecular_function	serine-type peptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA A 1280

Chain	Residue
A	PRO175
A	VAL177
A	ASP200
A	HOH5005
A	HOH5010
A	HOH5023
A	HOH5026

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE NO3 A 3001

Chain	Residue
A	TYR24
A	LYS57
A	ASN120
A	TYR277
A	HOH5192
A	HOH5408
A	ALA1
A	ALA2

---

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE NO3 A 3002

Chain	Residue
A	ASP184
A	TYR186
A	ARG188
A	THR244
A	HOH5100
A	HOH5224
A	HOH5346
A	HOH5487

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NO3 A 3003

Chain	Residue
A	TYR104
A	SER105
A	ILE108
A	SER140
A	HOH5099
A	HOH5299
A	HOH5306

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NO3 A 3004

Chain	Residue
A	TYR60
A	TYR61
A	LYS94
A	ASP97
A	ASP98
A	HOH5022
A	HOH5442

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NO3 A 3005

Chain	Residue
A	LYS118
A	VAL127
A	GLY152
A	HOH5039
A	HOH5111
A	HOH5291
A	HOH5307

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NO3 A 3006

Chain	Residue
A	SER191
A	ALA246
A	SER247
A	ARG250
A	HOH5270
A	HOH5500

---

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE NO3 A 3007

Chain	Residue
A	SER101
A	GLY102
A	TYR104
A	ILE107
A	LEU133
A	GLY134
A	HOH5250
A	HOH5385
A	HOH5455

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NO3 A 3008

Chain	Residue
A	ARG64
A	ASP165
A	ARG167
A	ASN168
A	GLY214
A	HOH5485
A	HOH5489

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NO3 A 3009

Chain	Residue
A	PRO124
A	LYS125
A	HOH5249
A	HOH5295
A	HOH5314
A	HOH5322

---

site_id	BC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE SO4 A 4001

Chain	Residue
A	MET55
A	VAL56
A	LYS57
A	THR58
A	SER63
A	HOH5066
A	HOH5143
A	HOH5285
A	HOH5297
A	HOH5309
A	HOH5407
A	HOH5511

---

site_id	BC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE B2A A 2001

Chain	Residue
A	LEU133
A	GLY134
A	ALA158
A	GLY160
A	ASN161
A	THR223
A	SER224
A	B2A2002
A	HOH5028
A	HOH5458

---

site_id	BC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE B2A A 2002

Chain	Residue
A	SER224
A	MET225
A	B2A2001
A	HOH5349
A	HIS69
A	ASN161
A	ILE220
A	SER221
A	GLY222

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL35-HIS46

---

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

Chain	Residue	Details
A	HIS69-SER79

---

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

Chain	Residue	Details
A	GLY222-GLY232

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	ACT_SITE: Charge relay system => ECO:0000255|PROSITE-ProRule:PRU01240

Chain	Residue	Details
A	ASP39
A	HIS69
A	SER224

---

site_id	SWS_FT_FI2
Number of Residues	5
Details	BINDING:

Chain	Residue	Details
A	THR16
A	PRO175
A	VAL177
A	ASP200
A	ASP260

---

Catalytic Information from CSA

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

Chain	Residue	Details
A	SER224
A	ASP39
A	HIS69

---