3QGJ

1.3A Structure of alpha-Lytic Protease Bound to Ac-AlaAlaPro-Alanal

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 1

Chain	Residue
A	THR54
A	SER69
A	LEU70
A	THR71
A	HOH398
C	ARG90
C	GLN154

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 200

Chain	Residue
A	GLY135
A	ASN136
A	ALA175
A	SER176
A	ARG178
C	THR116
A	THR116
A	GLN134

---

site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO A 201

Chain	Residue
A	THR116
A	HOH346
C	THR116
C	GLN134
C	GLY135
C	ASN136
C	ALA175
C	SER176
C	ARG178

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 202

Chain	Residue
A	ARG26
A	THR121
A	ARG130
A	HOH352
C	ARG130
C	HOH318

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 203

Chain	Residue
A	PRO174
A	ALA175
A	SER176
A	HOH399

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 204

Chain	Residue
A	ASN13
A	THR44
A	ARG46
A	HOH396

---

site_id	AC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE SO4 A 205

Chain	Residue
A	ASN63
A	ASN63
A	ARG65
A	ARG65
A	PRO187
A	PRO187
A	HOH355
A	HOH355
A	HOH487
A	HOH487
A	HOH509
A	HOH509

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE TFA A 206

Chain	Residue
A	ASN14
A	ARG46
A	GLY49
A	HOH401
A	HOH434
C	ASN167
C	ASN169

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE TFA A 207

Chain	Residue
A	ARG79
A	PHE86
A	HOH400
A	HOH410
A	HOH418
A	HOH499

---

site_id	BC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TFA A 208

Chain	Residue
A	ARG26
A	GLY127
A	ALA128
A	ARG130
A	HOH301
A	HOH397
A	HOH496
C	ARG79
C	THR88
C	ARG90
C	HOH373

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 200

Chain	Residue
A	ASN119
C	ASN123
C	HOH510
D	ALA2

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 201

Chain	Residue
C	ARG65
C	ARG130
C	HOH381
C	HOH474

---

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 C 202

Chain	Residue
C	ASN136
C	ALA137
C	CYS138
C	PRO174
C	ALA175
C	ARG178
C	HOH319

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 203

Chain	Residue
C	HIS37
C	ARG58
C	PHE60

---

site_id	BC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 C 204

Chain	Residue
C	HOH520
D	PRO4
C	ASN13
C	ASN14
C	HIS37
C	GLU126
C	ARG141
C	HOH334
C	HOH426

---

site_id	BC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TFA C 205

Chain	Residue
C	SER84
C	GLU94
C	LYS118
C	ARG184
C	HOH312
C	HOH335
C	HOH400
C	HOH450

---

site_id	BC8
Number of Residues	14
Details	BINDING SITE FOR CHAIN B OF AC-ALAALAPRO-ALANAL PEPTIDE

Chain	Residue
A	HIS37
A	TYR124
A	GLU126
A	GLY140
A	ARG141
A	GLY142
A	ASP143
A	SER144
A	SER160
A	GLY161
A	GLY162
A	ASN163
B	HOH108
C	HOH320

---

site_id	BC9
Number of Residues	17
Details	BINDING SITE FOR CHAIN D OF AC-ALAALAPRO-ALANAL PEPTIDE

Chain	Residue
C	HIS37
C	TYR124
C	GLU126
C	GLY140
C	ARG141
C	GLY142
C	ASP143
C	SER144
C	SER160
C	GLY161
C	GLY162
C	ASN163
C	VAL164
C	EDO200
C	SO4204
C	HOH366
C	HOH426

---

Functional Information from PROSITE/UniProt

site_id	PS00134
Number of Residues	6
Details	TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VTAGHC

Chain	Residue	Details
A	VAL33-CYS38

---

site_id	PS00135
Number of Residues	12
Details	TRYPSIN_SER Serine proteases, trypsin family, serine active site. CMgrGDSGGSWI

Chain	Residue	Details
A	CYS138-ILE149

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	Active site: {"description":"Charge relay system","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 609

Chain	Residue	Details
A	HIS37	proton acceptor, proton donor
A	ASP64	electrostatic stabiliser
A	GLY142	electrostatic stabiliser
A	SER144	electrostatic stabiliser
A	SER160	electrostatic stabiliser

---

site_id	MCSA2
Number of Residues	5
Details	M-CSA 609

Chain	Residue	Details
C	HIS37	proton acceptor, proton donor
C	ASP64	electrostatic stabiliser
C	GLY142	electrostatic stabiliser
C	SER144	electrostatic stabiliser
C	SER160	electrostatic stabiliser

---