6NB1

Crystal structure of Escherichia coli ClpP protease complexed with small molecule activator, ACP1-06

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004176	molecular_function	ATP-dependent peptidase activity
A	0004252	molecular_function	serine-type endopeptidase activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006508	biological_process	proteolysis
A	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
A	0008236	molecular_function	serine-type peptidase activity
A	0009266	biological_process	response to temperature stimulus
A	0009314	biological_process	response to radiation
A	0009368	cellular_component	endopeptidase Clp complex
A	0009376	cellular_component	HslUV protease complex
A	0009408	biological_process	response to heat
A	0010498	biological_process	proteasomal protein catabolic process
A	0016020	cellular_component	membrane
A	0042802	molecular_function	identical protein binding
A	0043068	biological_process	positive regulation of programmed cell death
A	0051117	molecular_function	ATPase binding
B	0004176	molecular_function	ATP-dependent peptidase activity
B	0004252	molecular_function	serine-type endopeptidase activity
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006508	biological_process	proteolysis
B	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
B	0008236	molecular_function	serine-type peptidase activity
B	0009266	biological_process	response to temperature stimulus
B	0009314	biological_process	response to radiation
B	0009368	cellular_component	endopeptidase Clp complex
B	0009376	cellular_component	HslUV protease complex
B	0009408	biological_process	response to heat
B	0010498	biological_process	proteasomal protein catabolic process
B	0016020	cellular_component	membrane
B	0042802	molecular_function	identical protein binding
B	0043068	biological_process	positive regulation of programmed cell death
B	0051117	molecular_function	ATPase binding
C	0004176	molecular_function	ATP-dependent peptidase activity
C	0004252	molecular_function	serine-type endopeptidase activity
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006508	biological_process	proteolysis
C	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
C	0008236	molecular_function	serine-type peptidase activity
C	0009266	biological_process	response to temperature stimulus
C	0009314	biological_process	response to radiation
C	0009368	cellular_component	endopeptidase Clp complex
C	0009376	cellular_component	HslUV protease complex
C	0009408	biological_process	response to heat
C	0010498	biological_process	proteasomal protein catabolic process
C	0016020	cellular_component	membrane
C	0042802	molecular_function	identical protein binding
C	0043068	biological_process	positive regulation of programmed cell death
C	0051117	molecular_function	ATPase binding
D	0004176	molecular_function	ATP-dependent peptidase activity
D	0004252	molecular_function	serine-type endopeptidase activity
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006508	biological_process	proteolysis
D	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
D	0008236	molecular_function	serine-type peptidase activity
D	0009266	biological_process	response to temperature stimulus
D	0009314	biological_process	response to radiation
D	0009368	cellular_component	endopeptidase Clp complex
D	0009376	cellular_component	HslUV protease complex
D	0009408	biological_process	response to heat
D	0010498	biological_process	proteasomal protein catabolic process
D	0016020	cellular_component	membrane
D	0042802	molecular_function	identical protein binding
D	0043068	biological_process	positive regulation of programmed cell death
D	0051117	molecular_function	ATPase binding
E	0004176	molecular_function	ATP-dependent peptidase activity
E	0004252	molecular_function	serine-type endopeptidase activity
E	0005515	molecular_function	protein binding
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0006508	biological_process	proteolysis
E	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
E	0008236	molecular_function	serine-type peptidase activity
E	0009266	biological_process	response to temperature stimulus
E	0009314	biological_process	response to radiation
E	0009368	cellular_component	endopeptidase Clp complex
E	0009376	cellular_component	HslUV protease complex
E	0009408	biological_process	response to heat
E	0010498	biological_process	proteasomal protein catabolic process
E	0016020	cellular_component	membrane
E	0042802	molecular_function	identical protein binding
E	0043068	biological_process	positive regulation of programmed cell death
E	0051117	molecular_function	ATPase binding
F	0004176	molecular_function	ATP-dependent peptidase activity
F	0004252	molecular_function	serine-type endopeptidase activity
F	0005515	molecular_function	protein binding
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0006508	biological_process	proteolysis
F	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
F	0008236	molecular_function	serine-type peptidase activity
F	0009266	biological_process	response to temperature stimulus
F	0009314	biological_process	response to radiation
F	0009368	cellular_component	endopeptidase Clp complex
F	0009376	cellular_component	HslUV protease complex
F	0009408	biological_process	response to heat
F	0010498	biological_process	proteasomal protein catabolic process
F	0016020	cellular_component	membrane
F	0042802	molecular_function	identical protein binding
F	0043068	biological_process	positive regulation of programmed cell death
F	0051117	molecular_function	ATPase binding
G	0004176	molecular_function	ATP-dependent peptidase activity
G	0004252	molecular_function	serine-type endopeptidase activity
G	0005515	molecular_function	protein binding
G	0005737	cellular_component	cytoplasm
G	0005829	cellular_component	cytosol
G	0006508	biological_process	proteolysis
G	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
G	0008236	molecular_function	serine-type peptidase activity
G	0009266	biological_process	response to temperature stimulus
G	0009314	biological_process	response to radiation
G	0009368	cellular_component	endopeptidase Clp complex
G	0009376	cellular_component	HslUV protease complex
G	0009408	biological_process	response to heat
G	0010498	biological_process	proteasomal protein catabolic process
G	0016020	cellular_component	membrane
G	0042802	molecular_function	identical protein binding
G	0043068	biological_process	positive regulation of programmed cell death
G	0051117	molecular_function	ATPase binding
H	0004176	molecular_function	ATP-dependent peptidase activity
H	0004252	molecular_function	serine-type endopeptidase activity
H	0005515	molecular_function	protein binding
H	0005737	cellular_component	cytoplasm
H	0005829	cellular_component	cytosol
H	0006508	biological_process	proteolysis
H	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
H	0008236	molecular_function	serine-type peptidase activity
H	0009266	biological_process	response to temperature stimulus
H	0009314	biological_process	response to radiation
H	0009368	cellular_component	endopeptidase Clp complex
H	0009376	cellular_component	HslUV protease complex
H	0009408	biological_process	response to heat
H	0010498	biological_process	proteasomal protein catabolic process
H	0016020	cellular_component	membrane
H	0042802	molecular_function	identical protein binding
H	0043068	biological_process	positive regulation of programmed cell death
H	0051117	molecular_function	ATPase binding
I	0004176	molecular_function	ATP-dependent peptidase activity
I	0004252	molecular_function	serine-type endopeptidase activity
I	0005515	molecular_function	protein binding
I	0005737	cellular_component	cytoplasm
I	0005829	cellular_component	cytosol
I	0006508	biological_process	proteolysis
I	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
I	0008236	molecular_function	serine-type peptidase activity
I	0009266	biological_process	response to temperature stimulus
I	0009314	biological_process	response to radiation
I	0009368	cellular_component	endopeptidase Clp complex
I	0009376	cellular_component	HslUV protease complex
I	0009408	biological_process	response to heat
I	0010498	biological_process	proteasomal protein catabolic process
I	0016020	cellular_component	membrane
I	0042802	molecular_function	identical protein binding
I	0043068	biological_process	positive regulation of programmed cell death
I	0051117	molecular_function	ATPase binding
J	0004176	molecular_function	ATP-dependent peptidase activity
J	0004252	molecular_function	serine-type endopeptidase activity
J	0005515	molecular_function	protein binding
J	0005737	cellular_component	cytoplasm
J	0005829	cellular_component	cytosol
J	0006508	biological_process	proteolysis
J	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
J	0008236	molecular_function	serine-type peptidase activity
J	0009266	biological_process	response to temperature stimulus
J	0009314	biological_process	response to radiation
J	0009368	cellular_component	endopeptidase Clp complex
J	0009376	cellular_component	HslUV protease complex
J	0009408	biological_process	response to heat
J	0010498	biological_process	proteasomal protein catabolic process
J	0016020	cellular_component	membrane
J	0042802	molecular_function	identical protein binding
J	0043068	biological_process	positive regulation of programmed cell death
J	0051117	molecular_function	ATPase binding
K	0004176	molecular_function	ATP-dependent peptidase activity
K	0004252	molecular_function	serine-type endopeptidase activity
K	0005515	molecular_function	protein binding
K	0005737	cellular_component	cytoplasm
K	0005829	cellular_component	cytosol
K	0006508	biological_process	proteolysis
K	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
K	0008236	molecular_function	serine-type peptidase activity
K	0009266	biological_process	response to temperature stimulus
K	0009314	biological_process	response to radiation
K	0009368	cellular_component	endopeptidase Clp complex
K	0009376	cellular_component	HslUV protease complex
K	0009408	biological_process	response to heat
K	0010498	biological_process	proteasomal protein catabolic process
K	0016020	cellular_component	membrane
K	0042802	molecular_function	identical protein binding
K	0043068	biological_process	positive regulation of programmed cell death
K	0051117	molecular_function	ATPase binding
L	0004176	molecular_function	ATP-dependent peptidase activity
L	0004252	molecular_function	serine-type endopeptidase activity
L	0005515	molecular_function	protein binding
L	0005737	cellular_component	cytoplasm
L	0005829	cellular_component	cytosol
L	0006508	biological_process	proteolysis
L	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
L	0008236	molecular_function	serine-type peptidase activity
L	0009266	biological_process	response to temperature stimulus
L	0009314	biological_process	response to radiation
L	0009368	cellular_component	endopeptidase Clp complex
L	0009376	cellular_component	HslUV protease complex
L	0009408	biological_process	response to heat
L	0010498	biological_process	proteasomal protein catabolic process
L	0016020	cellular_component	membrane
L	0042802	molecular_function	identical protein binding
L	0043068	biological_process	positive regulation of programmed cell death
L	0051117	molecular_function	ATPase binding
M	0004176	molecular_function	ATP-dependent peptidase activity
M	0004252	molecular_function	serine-type endopeptidase activity
M	0005515	molecular_function	protein binding
M	0005737	cellular_component	cytoplasm
M	0005829	cellular_component	cytosol
M	0006508	biological_process	proteolysis
M	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
M	0008236	molecular_function	serine-type peptidase activity
M	0009266	biological_process	response to temperature stimulus
M	0009314	biological_process	response to radiation
M	0009368	cellular_component	endopeptidase Clp complex
M	0009376	cellular_component	HslUV protease complex
M	0009408	biological_process	response to heat
M	0010498	biological_process	proteasomal protein catabolic process
M	0016020	cellular_component	membrane
M	0042802	molecular_function	identical protein binding
M	0043068	biological_process	positive regulation of programmed cell death
M	0051117	molecular_function	ATPase binding
N	0004176	molecular_function	ATP-dependent peptidase activity
N	0004252	molecular_function	serine-type endopeptidase activity
N	0005515	molecular_function	protein binding
N	0005737	cellular_component	cytoplasm
N	0005829	cellular_component	cytosol
N	0006508	biological_process	proteolysis
N	0006515	biological_process	protein quality control for misfolded or incompletely synthesized proteins
N	0008236	molecular_function	serine-type peptidase activity
N	0009266	biological_process	response to temperature stimulus
N	0009314	biological_process	response to radiation
N	0009368	cellular_component	endopeptidase Clp complex
N	0009376	cellular_component	HslUV protease complex
N	0009408	biological_process	response to heat
N	0010498	biological_process	proteasomal protein catabolic process
N	0016020	cellular_component	membrane
N	0042802	molecular_function	identical protein binding
N	0043068	biological_process	positive regulation of programmed cell death
N	0051117	molecular_function	ATPase binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	binding site for residue KHS A 301

Chain	Residue
A	ARG36
G	LEU62
G	PHE63
G	ALA66
G	THR93
G	PHE96
G	ILE97
A	LEU37
A	GLU40
A	VAL42
A	TYR74
A	TYR76
A	PHE126
A	LEU128
A	ARG206

---

site_id	AC2
Number of Residues	5
Details	binding site for residue GOL A 302

Chain	Residue
A	GLU155
A	LYS158
A	VAL159
B	ARG132
B	SER189

---

site_id	AC3
Number of Residues	15
Details	binding site for residue KHS B 301

Chain	Residue
A	LEU62
A	PHE63
A	ALA66
A	THR93
A	PHE96
A	ILE97
B	ARG36
B	LEU37
B	GLU40
B	VAL42
B	TYR74
B	TYR76
B	PHE126
B	LEU128
B	ARG206

---

site_id	AC4
Number of Residues	6
Details	binding site for residue GOL B 302

Chain	Residue
B	GLU155
B	LYS158
B	ARG162
C	ARG132
C	LEU188
C	SER189

---

site_id	AC5
Number of Residues	12
Details	binding site for residue KHS C 301

Chain	Residue
B	LEU62
B	PHE63
B	ALA66
B	THR93
B	PHE96
C	GLU40
C	VAL42
C	TYR74
C	TYR76
C	PHE126
C	LEU128
C	ARG206

---

site_id	AC6
Number of Residues	7
Details	binding site for residue GOL C 302

Chain	Residue
C	GLU155
C	LYS158
C	VAL159
D	ARG132
D	PHE187
D	SER189
D	HOH406

---

site_id	AC7
Number of Residues	14
Details	binding site for residue KHS D 301

Chain	Residue
C	LEU62
C	PHE63
C	ALA66
C	THR93
C	PHE96
D	ARG36
D	LEU37
D	GLU40
D	VAL42
D	TYR74
D	TYR76
D	PHE126
D	LEU128
D	ARG206

---

site_id	AC8
Number of Residues	6
Details	binding site for residue GOL D 302

Chain	Residue
D	GLU155
D	LYS158
D	VAL159
E	ARG132
E	SER189
E	HOH443

---

site_id	AC9
Number of Residues	14
Details	binding site for residue KHS E 301

Chain	Residue
D	LEU62
D	PHE63
D	ALA66
D	THR93
D	PHE96
E	ARG36
E	LEU37
E	GLU40
E	VAL42
E	TYR74
E	TYR76
E	PHE126
E	LEU128
E	ARG206

---

site_id	AD1
Number of Residues	4
Details	binding site for residue GOL E 302

Chain	Residue
E	GLU155
E	LYS158
F	ARG132
F	SER189

---

site_id	AD2
Number of Residues	15
Details	binding site for residue KHS F 301

Chain	Residue
E	PHE63
E	ALA66
E	THR93
E	PHE96
E	ILE97
F	ARG36
F	LEU37
F	GLU40
F	VAL42
F	TYR74
F	TYR76
F	PHE126
F	LEU128
F	ARG206
E	LEU62

---

site_id	AD3
Number of Residues	6
Details	binding site for residue GOL F 302

Chain	Residue
F	GLU155
F	LYS158
F	VAL159
G	ARG132
G	SER189
G	HOH422

---

site_id	AD4
Number of Residues	15
Details	binding site for residue KHS G 301

Chain	Residue
F	LEU62
F	PHE63
F	ALA66
F	THR93
F	PHE96
F	ILE97
G	ARG36
G	GLU40
G	VAL42
G	TYR74
G	TYR76
G	PHE126
G	LEU128
G	ARG206
G	HOH476

---

site_id	AD5
Number of Residues	4
Details	binding site for residue GOL G 302

Chain	Residue
A	ARG132
A	SER189
G	GLU155
G	ARG162

---

site_id	AD6
Number of Residues	15
Details	binding site for residue KHS H 301

Chain	Residue
H	ARG36
H	LEU37
H	GLU40
H	VAL42
H	TYR74
H	TYR76
H	PHE126
H	LEU128
H	ARG206
H	HOH442
I	LEU62
I	PHE63
I	ALA66
I	THR93
I	PHE96

---

site_id	AD7
Number of Residues	6
Details	binding site for residue GOL H 302

Chain	Residue
H	GLU155
H	LYS158
H	ARG162
N	ARG132
N	LEU188
N	SER189

---

site_id	AD8
Number of Residues	15
Details	binding site for residue KHS I 301

Chain	Residue
I	ARG36
I	LEU37
I	GLU40
I	VAL42
I	TYR74
I	TYR76
I	PHE126
I	LEU128
I	ARG206
I	HOH452
J	LEU62
J	PHE63
J	ALA66
J	THR93
J	PHE96

---

site_id	AD9
Number of Residues	5
Details	binding site for residue GOL I 302

Chain	Residue
H	ARG132
H	SER189
I	GLU155
I	LYS158
I	VAL159

---

site_id	AE1
Number of Residues	15
Details	binding site for residue KHS J 301

Chain	Residue
J	ARG36
J	LEU37
J	GLU40
J	VAL42
J	TYR74
J	TYR76
J	PHE126
J	LEU128
J	ARG206
K	LEU62
K	PHE63
K	ALA66
K	THR93
K	PHE96
K	ILE97

---

site_id	AE2
Number of Residues	4
Details	binding site for residue GOL J 302

Chain	Residue
I	ARG132
I	SER189
J	GLU155
J	LYS158

---

site_id	AE3
Number of Residues	14
Details	binding site for residue KHS K 301

Chain	Residue
K	ARG36
K	GLU40
K	VAL42
K	TYR74
K	TYR76
K	MET106
K	PHE126
K	LEU128
K	ARG206
L	LEU62
L	PHE63
L	ALA66
L	THR93
L	PHE96

---

site_id	AE4
Number of Residues	7
Details	binding site for residue GOL K 302

Chain	Residue
J	ARG132
J	SER189
K	GLU155
K	LYS158
K	VAL159
K	HOH413
K	HOH447

---

site_id	AE5
Number of Residues	14
Details	binding site for residue KHS L 301

Chain	Residue
L	ARG36
L	LEU37
L	GLU40
L	VAL42
L	TYR74
L	TYR76
L	PHE126
L	LEU128
L	ARG206
M	LEU62
M	PHE63
M	ALA66
M	THR93
M	PHE96

---

site_id	AE6
Number of Residues	5
Details	binding site for residue GOL L 302

Chain	Residue
K	ARG132
K	SER189
K	HOH434
L	GLU155
L	LYS158

---

site_id	AE7
Number of Residues	14
Details	binding site for residue KHS M 301

Chain	Residue
E	GLU70
M	ARG36
M	LEU37
M	GLU40
M	VAL42
M	TYR74
M	TYR76
M	PHE126
M	LEU128
M	ARG206
N	LEU62
N	ALA66
N	THR93
N	PHE96

---

site_id	AE8
Number of Residues	6
Details	binding site for residue GOL M 302

Chain	Residue
L	ARG132
L	LEU188
L	SER189
M	GLU155
M	LYS158
M	VAL159

---

site_id	AE9
Number of Residues	15
Details	binding site for residue KHS N 301

Chain	Residue
H	LEU62
H	PHE63
H	ALA66
H	THR93
H	PHE96
H	ILE97
N	ARG36
N	LEU37
N	GLU40
N	VAL42
N	TYR74
N	TYR76
N	PHE126
N	LEU128
N	ARG206

---

site_id	AF1
Number of Residues	6
Details	binding site for residue GOL N 302

Chain	Residue
M	ARG132
M	LEU188
M	SER189
N	GLU155
N	LYS158
N	HOH414

---

Functional Information from PROSITE/UniProt

site_id	PS00381
Number of Residues	12
Details	CLP_PROTEASE_SER Endopeptidase Clp serine active site. TicMGqAASMGA

Chain	Residue	Details
A	THR103-ALA114

---

site_id	PS00382
Number of Residues	14
Details	CLP_PROTEASE_HIS Endopeptidase Clp histidine active site. RfclPnsrVMIHQP

Chain	Residue	Details
A	ARG125-PRO138

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	14
Details	ACT_SITE: Nucleophile => ECO:0000305

Chain	Residue	Details
A	SER111
B	SER111
C	SER111
D	SER111
E	SER111
F	SER111
G	SER111
H	SER111
I	SER111
J	SER111
K	SER111
L	SER111
M	SER111
N	SER111

---

site_id	SWS_FT_FI2
Number of Residues	28
Details	ACT_SITE: ACT_SITE => ECO:0000305

Chain	Residue	Details
A	HIS136
A	ASP185
B	HIS136
B	ASP185
C	HIS136
C	ASP185
D	HIS136
D	ASP185
E	HIS136
E	ASP185
F	HIS136
F	ASP185
G	HIS136
G	ASP185
H	HIS136
H	ASP185
I	HIS136
I	ASP185
J	HIS136
J	ASP185
K	HIS136
K	ASP185
L	HIS136
L	ASP185
M	HIS136
M	ASP185
N	HIS136
N	ASP185

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
A	GLY82	electrostatic stabiliser
A	SER111	covalent catalysis, proton shuttle (general acid/base)
A	MET112	electrostatic stabiliser
A	HIS136	proton shuttle (general acid/base)
A	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA2
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
B	GLY82	electrostatic stabiliser
B	SER111	covalent catalysis, proton shuttle (general acid/base)
B	MET112	electrostatic stabiliser
B	HIS136	proton shuttle (general acid/base)
B	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA3
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
C	GLY82	electrostatic stabiliser
C	SER111	covalent catalysis, proton shuttle (general acid/base)
C	MET112	electrostatic stabiliser
C	HIS136	proton shuttle (general acid/base)
C	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA4
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
D	GLY82	electrostatic stabiliser
D	SER111	covalent catalysis, proton shuttle (general acid/base)
D	MET112	electrostatic stabiliser
D	HIS136	proton shuttle (general acid/base)
D	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA5
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
E	GLY82	electrostatic stabiliser
E	SER111	covalent catalysis, proton shuttle (general acid/base)
E	MET112	electrostatic stabiliser
E	HIS136	proton shuttle (general acid/base)
E	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA6
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
F	GLY82	electrostatic stabiliser
F	SER111	covalent catalysis, proton shuttle (general acid/base)
F	MET112	electrostatic stabiliser
F	HIS136	proton shuttle (general acid/base)
F	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA7
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
G	GLY82	electrostatic stabiliser
G	SER111	covalent catalysis, proton shuttle (general acid/base)
G	MET112	electrostatic stabiliser
G	HIS136	proton shuttle (general acid/base)
G	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA8
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
H	GLY82	electrostatic stabiliser
H	SER111	covalent catalysis, proton shuttle (general acid/base)
H	MET112	electrostatic stabiliser
H	HIS136	proton shuttle (general acid/base)
H	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA9
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
I	GLY82	electrostatic stabiliser
I	SER111	covalent catalysis, proton shuttle (general acid/base)
I	MET112	electrostatic stabiliser
I	HIS136	proton shuttle (general acid/base)
I	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA10
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
J	GLY82	electrostatic stabiliser
J	SER111	covalent catalysis, proton shuttle (general acid/base)
J	MET112	electrostatic stabiliser
J	HIS136	proton shuttle (general acid/base)
J	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA11
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
K	GLY82	electrostatic stabiliser
K	SER111	covalent catalysis, proton shuttle (general acid/base)
K	MET112	electrostatic stabiliser
K	HIS136	proton shuttle (general acid/base)
K	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA12
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
L	GLY82	electrostatic stabiliser
L	SER111	covalent catalysis, proton shuttle (general acid/base)
L	MET112	electrostatic stabiliser
L	HIS136	proton shuttle (general acid/base)
L	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA13
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
M	GLY82	electrostatic stabiliser
M	SER111	covalent catalysis, proton shuttle (general acid/base)
M	MET112	electrostatic stabiliser
M	HIS136	proton shuttle (general acid/base)
M	ASP185	electrostatic stabiliser, modifies pKa

---

site_id	MCSA14
Number of Residues	5
Details	M-CSA 912

Chain	Residue	Details
N	GLY82	electrostatic stabiliser
N	SER111	covalent catalysis, proton shuttle (general acid/base)
N	MET112	electrostatic stabiliser
N	HIS136	proton shuttle (general acid/base)
N	ASP185	electrostatic stabiliser, modifies pKa

---