3OOH

Crystal structure of E. Coli purine nucleoside phosphorylase with PO4

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004731	molecular_function	purine-nucleoside phosphorylase activity
A	0005829	cellular_component	cytosol
A	0006139	biological_process	nucleobase-containing compound metabolic process
A	0006152	biological_process	purine nucleoside catabolic process
A	0006974	biological_process	DNA damage response
A	0009116	biological_process	nucleoside metabolic process
A	0016020	cellular_component	membrane
A	0016763	molecular_function	pentosyltransferase activity
A	0019686	biological_process	purine nucleoside interconversion
A	0042278	biological_process	purine nucleoside metabolic process
A	0042802	molecular_function	identical protein binding
A	0047975	molecular_function	guanosine phosphorylase activity
B	0003824	molecular_function	catalytic activity
B	0004731	molecular_function	purine-nucleoside phosphorylase activity
B	0005829	cellular_component	cytosol
B	0006139	biological_process	nucleobase-containing compound metabolic process
B	0006152	biological_process	purine nucleoside catabolic process
B	0006974	biological_process	DNA damage response
B	0009116	biological_process	nucleoside metabolic process
B	0016020	cellular_component	membrane
B	0016763	molecular_function	pentosyltransferase activity
B	0019686	biological_process	purine nucleoside interconversion
B	0042278	biological_process	purine nucleoside metabolic process
B	0042802	molecular_function	identical protein binding
B	0047975	molecular_function	guanosine phosphorylase activity
C	0003824	molecular_function	catalytic activity
C	0004731	molecular_function	purine-nucleoside phosphorylase activity
C	0005829	cellular_component	cytosol
C	0006139	biological_process	nucleobase-containing compound metabolic process
C	0006152	biological_process	purine nucleoside catabolic process
C	0006974	biological_process	DNA damage response
C	0009116	biological_process	nucleoside metabolic process
C	0016020	cellular_component	membrane
C	0016763	molecular_function	pentosyltransferase activity
C	0019686	biological_process	purine nucleoside interconversion
C	0042278	biological_process	purine nucleoside metabolic process
C	0042802	molecular_function	identical protein binding
C	0047975	molecular_function	guanosine phosphorylase activity
D	0003824	molecular_function	catalytic activity
D	0004731	molecular_function	purine-nucleoside phosphorylase activity
D	0005829	cellular_component	cytosol
D	0006139	biological_process	nucleobase-containing compound metabolic process
D	0006152	biological_process	purine nucleoside catabolic process
D	0006974	biological_process	DNA damage response
D	0009116	biological_process	nucleoside metabolic process
D	0016020	cellular_component	membrane
D	0016763	molecular_function	pentosyltransferase activity
D	0019686	biological_process	purine nucleoside interconversion
D	0042278	biological_process	purine nucleoside metabolic process
D	0042802	molecular_function	identical protein binding
D	0047975	molecular_function	guanosine phosphorylase activity
E	0003824	molecular_function	catalytic activity
E	0004731	molecular_function	purine-nucleoside phosphorylase activity
E	0005829	cellular_component	cytosol
E	0006139	biological_process	nucleobase-containing compound metabolic process
E	0006152	biological_process	purine nucleoside catabolic process
E	0006974	biological_process	DNA damage response
E	0009116	biological_process	nucleoside metabolic process
E	0016020	cellular_component	membrane
E	0016763	molecular_function	pentosyltransferase activity
E	0019686	biological_process	purine nucleoside interconversion
E	0042278	biological_process	purine nucleoside metabolic process
E	0042802	molecular_function	identical protein binding
E	0047975	molecular_function	guanosine phosphorylase activity
F	0003824	molecular_function	catalytic activity
F	0004731	molecular_function	purine-nucleoside phosphorylase activity
F	0005829	cellular_component	cytosol
F	0006139	biological_process	nucleobase-containing compound metabolic process
F	0006152	biological_process	purine nucleoside catabolic process
F	0006974	biological_process	DNA damage response
F	0009116	biological_process	nucleoside metabolic process
F	0016020	cellular_component	membrane
F	0016763	molecular_function	pentosyltransferase activity
F	0019686	biological_process	purine nucleoside interconversion
F	0042278	biological_process	purine nucleoside metabolic process
F	0042802	molecular_function	identical protein binding
F	0047975	molecular_function	guanosine phosphorylase activity
G	0003824	molecular_function	catalytic activity
G	0004731	molecular_function	purine-nucleoside phosphorylase activity
G	0005829	cellular_component	cytosol
G	0006139	biological_process	nucleobase-containing compound metabolic process
G	0006152	biological_process	purine nucleoside catabolic process
G	0006974	biological_process	DNA damage response
G	0009116	biological_process	nucleoside metabolic process
G	0016020	cellular_component	membrane
G	0016763	molecular_function	pentosyltransferase activity
G	0019686	biological_process	purine nucleoside interconversion
G	0042278	biological_process	purine nucleoside metabolic process
G	0042802	molecular_function	identical protein binding
G	0047975	molecular_function	guanosine phosphorylase activity
H	0003824	molecular_function	catalytic activity
H	0004731	molecular_function	purine-nucleoside phosphorylase activity
H	0005829	cellular_component	cytosol
H	0006139	biological_process	nucleobase-containing compound metabolic process
H	0006152	biological_process	purine nucleoside catabolic process
H	0006974	biological_process	DNA damage response
H	0009116	biological_process	nucleoside metabolic process
H	0016020	cellular_component	membrane
H	0016763	molecular_function	pentosyltransferase activity
H	0019686	biological_process	purine nucleoside interconversion
H	0042278	biological_process	purine nucleoside metabolic process
H	0042802	molecular_function	identical protein binding
H	0047975	molecular_function	guanosine phosphorylase activity
I	0003824	molecular_function	catalytic activity
I	0004731	molecular_function	purine-nucleoside phosphorylase activity
I	0005829	cellular_component	cytosol
I	0006139	biological_process	nucleobase-containing compound metabolic process
I	0006152	biological_process	purine nucleoside catabolic process
I	0006974	biological_process	DNA damage response
I	0009116	biological_process	nucleoside metabolic process
I	0016020	cellular_component	membrane
I	0016763	molecular_function	pentosyltransferase activity
I	0019686	biological_process	purine nucleoside interconversion
I	0042278	biological_process	purine nucleoside metabolic process
I	0042802	molecular_function	identical protein binding
I	0047975	molecular_function	guanosine phosphorylase activity
J	0003824	molecular_function	catalytic activity
J	0004731	molecular_function	purine-nucleoside phosphorylase activity
J	0005829	cellular_component	cytosol
J	0006139	biological_process	nucleobase-containing compound metabolic process
J	0006152	biological_process	purine nucleoside catabolic process
J	0006974	biological_process	DNA damage response
J	0009116	biological_process	nucleoside metabolic process
J	0016020	cellular_component	membrane
J	0016763	molecular_function	pentosyltransferase activity
J	0019686	biological_process	purine nucleoside interconversion
J	0042278	biological_process	purine nucleoside metabolic process
J	0042802	molecular_function	identical protein binding
J	0047975	molecular_function	guanosine phosphorylase activity
K	0003824	molecular_function	catalytic activity
K	0004731	molecular_function	purine-nucleoside phosphorylase activity
K	0005829	cellular_component	cytosol
K	0006139	biological_process	nucleobase-containing compound metabolic process
K	0006152	biological_process	purine nucleoside catabolic process
K	0006974	biological_process	DNA damage response
K	0009116	biological_process	nucleoside metabolic process
K	0016020	cellular_component	membrane
K	0016763	molecular_function	pentosyltransferase activity
K	0019686	biological_process	purine nucleoside interconversion
K	0042278	biological_process	purine nucleoside metabolic process
K	0042802	molecular_function	identical protein binding
K	0047975	molecular_function	guanosine phosphorylase activity
L	0003824	molecular_function	catalytic activity
L	0004731	molecular_function	purine-nucleoside phosphorylase activity
L	0005829	cellular_component	cytosol
L	0006139	biological_process	nucleobase-containing compound metabolic process
L	0006152	biological_process	purine nucleoside catabolic process
L	0006974	biological_process	DNA damage response
L	0009116	biological_process	nucleoside metabolic process
L	0016020	cellular_component	membrane
L	0016763	molecular_function	pentosyltransferase activity
L	0019686	biological_process	purine nucleoside interconversion
L	0042278	biological_process	purine nucleoside metabolic process
L	0042802	molecular_function	identical protein binding
L	0047975	molecular_function	guanosine phosphorylase activity
M	0003824	molecular_function	catalytic activity
M	0004731	molecular_function	purine-nucleoside phosphorylase activity
M	0005829	cellular_component	cytosol
M	0006139	biological_process	nucleobase-containing compound metabolic process
M	0006152	biological_process	purine nucleoside catabolic process
M	0006974	biological_process	DNA damage response
M	0009116	biological_process	nucleoside metabolic process
M	0016020	cellular_component	membrane
M	0016763	molecular_function	pentosyltransferase activity
M	0019686	biological_process	purine nucleoside interconversion
M	0042278	biological_process	purine nucleoside metabolic process
M	0042802	molecular_function	identical protein binding
M	0047975	molecular_function	guanosine phosphorylase activity
N	0003824	molecular_function	catalytic activity
N	0004731	molecular_function	purine-nucleoside phosphorylase activity
N	0005829	cellular_component	cytosol
N	0006139	biological_process	nucleobase-containing compound metabolic process
N	0006152	biological_process	purine nucleoside catabolic process
N	0006974	biological_process	DNA damage response
N	0009116	biological_process	nucleoside metabolic process
N	0016020	cellular_component	membrane
N	0016763	molecular_function	pentosyltransferase activity
N	0019686	biological_process	purine nucleoside interconversion
N	0042278	biological_process	purine nucleoside metabolic process
N	0042802	molecular_function	identical protein binding
N	0047975	molecular_function	guanosine phosphorylase activity
O	0003824	molecular_function	catalytic activity
O	0004731	molecular_function	purine-nucleoside phosphorylase activity
O	0005829	cellular_component	cytosol
O	0006139	biological_process	nucleobase-containing compound metabolic process
O	0006152	biological_process	purine nucleoside catabolic process
O	0006974	biological_process	DNA damage response
O	0009116	biological_process	nucleoside metabolic process
O	0016020	cellular_component	membrane
O	0016763	molecular_function	pentosyltransferase activity
O	0019686	biological_process	purine nucleoside interconversion
O	0042278	biological_process	purine nucleoside metabolic process
O	0042802	molecular_function	identical protein binding
O	0047975	molecular_function	guanosine phosphorylase activity
P	0003824	molecular_function	catalytic activity
P	0004731	molecular_function	purine-nucleoside phosphorylase activity
P	0005829	cellular_component	cytosol
P	0006139	biological_process	nucleobase-containing compound metabolic process
P	0006152	biological_process	purine nucleoside catabolic process
P	0006974	biological_process	DNA damage response
P	0009116	biological_process	nucleoside metabolic process
P	0016020	cellular_component	membrane
P	0016763	molecular_function	pentosyltransferase activity
P	0019686	biological_process	purine nucleoside interconversion
P	0042278	biological_process	purine nucleoside metabolic process
P	0042802	molecular_function	identical protein binding
P	0047975	molecular_function	guanosine phosphorylase activity
Q	0003824	molecular_function	catalytic activity
Q	0004731	molecular_function	purine-nucleoside phosphorylase activity
Q	0005829	cellular_component	cytosol
Q	0006139	biological_process	nucleobase-containing compound metabolic process
Q	0006152	biological_process	purine nucleoside catabolic process
Q	0006974	biological_process	DNA damage response
Q	0009116	biological_process	nucleoside metabolic process
Q	0016020	cellular_component	membrane
Q	0016763	molecular_function	pentosyltransferase activity
Q	0019686	biological_process	purine nucleoside interconversion
Q	0042278	biological_process	purine nucleoside metabolic process
Q	0042802	molecular_function	identical protein binding
Q	0047975	molecular_function	guanosine phosphorylase activity
R	0003824	molecular_function	catalytic activity
R	0004731	molecular_function	purine-nucleoside phosphorylase activity
R	0005829	cellular_component	cytosol
R	0006139	biological_process	nucleobase-containing compound metabolic process
R	0006152	biological_process	purine nucleoside catabolic process
R	0006974	biological_process	DNA damage response
R	0009116	biological_process	nucleoside metabolic process
R	0016020	cellular_component	membrane
R	0016763	molecular_function	pentosyltransferase activity
R	0019686	biological_process	purine nucleoside interconversion
R	0042278	biological_process	purine nucleoside metabolic process
R	0042802	molecular_function	identical protein binding
R	0047975	molecular_function	guanosine phosphorylase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 A 300

Chain	Residue
A	GLY20
A	ARG24
A	ARG87
A	GLY89
A	SER90
D	ARG43

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 A 238

Chain	Residue
Q	HIS97
A	GLU171
Q	LEU95
Q	PRO96

---

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 B 300

Chain	Residue
B	GLY20
B	ARG87
B	GLY89
B	SER90
B	HOH407
B	HOH408
B	HOH717
E	ARG43

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 C 300

Chain	Residue
C	GLY20
C	ARG87
C	GLY89
C	SER90
C	HOH914
C	HOH1085
F	ARG43

---

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 D 300

Chain	Residue
A	ARG43
D	GLY20
D	ARG87
D	GLY89
D	SER90
D	HOH403
D	HOH924
D	HOH1204

---

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PO4 E 300

Chain	Residue
B	ARG43
E	GLY20
E	ARG87
E	GLY89
E	SER90
E	HOH406
E	HOH452
E	HOH768
E	HOH1345

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 F 300

Chain	Residue
C	ARG43
F	PRO19
F	GLY20
F	ARG24
F	ARG87
F	GLY89
F	SER90

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 G 300

Chain	Residue
G	GLY20
G	ARG24
G	ARG87
G	GLY89
G	SER90
G	HOH663
J	ARG43

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 H 300

Chain	Residue
H	GLY20
H	ARG87
H	VAL88
H	GLY89
H	SER90
H	HOH981
K	ARG43

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 H 238

Chain	Residue
H	LEU95
H	PRO96
H	HIS97
M	GLU171
M	ARG207

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 I 300

Chain	Residue
I	GLY20
I	ARG87
I	GLY89
I	SER90
I	HOH609
I	HOH1038
L	ARG43

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 J 300

Chain	Residue
G	ARG43
J	GLY20
J	GLY89
J	SER90
J	HOH1156
J	HOH1278

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 K 300

Chain	Residue
H	ARG43
K	ARG87
K	GLY89
K	SER90

---

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 K 238

Chain	Residue
F	GLU171
F	ARG207
K	LEU95
K	PRO96
K	HIS97

---

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 L 300

Chain	Residue
I	ARG43
L	GLY20
L	ARG24
L	ARG87
L	GLY89
L	SER90
L	HOH1089
L	HOH1217

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 L 238

Chain	Residue
E	HIS97
L	GLU171
L	ARG207
L	HOH596
E	PRO96

---

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 M 300

Chain	Residue
M	GLY20
M	ARG24
M	ARG87
M	GLY89
M	SER90
M	HOH411
P	ARG43

---

site_id	BC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 N 300

Chain	Residue
N	PRO19
N	GLY20
N	ARG24
N	ARG87
N	GLY89
N	SER90
N	HOH410
Q	ARG43

---

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 O 300

Chain	Residue
O	GLY20
O	ARG87
O	GLY89
O	SER90
O	HOH405
O	HOH412
R	ARG43

---

site_id	CC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 P 300

Chain	Residue
M	ARG43
P	GLY20
P	ARG87
P	VAL88
P	GLY89
P	SER90
P	HOH402

---

site_id	CC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 Q 300

Chain	Residue
N	ARG43
Q	GLY20
Q	ARG87
Q	VAL88
Q	GLY89
Q	SER90
Q	HOH414
Q	HOH809

---

site_id	CC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PO4 R 300

Chain	Residue
O	ARG43
R	GLY20
R	ARG24
R	ARG87
R	GLY89
R	SER90
R	HOH879

---

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 R 238

Chain	Residue
B	PRO96
B	HIS97
R	PRO96
R	GLU171

---

Functional Information from PROSITE/UniProt

site_id	PS01232
Number of Residues	16
Details	PNP_UDP_1 Purine and other phosphorylases family 1 signature. GhGMGiPScSIytkEL

Chain	Residue	Details
A	GLY61-LEU76

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	18
Details	Active site: {"description":"Proton donor","evidences":[{"source":"HAMAP-Rule","id":"MF_01627","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"30337572","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"PubMed","id":"30337572","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"4TS3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TS9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TTA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TTI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TTJ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	90
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PubMed","id":"11786017","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21672603","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"30337572","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1K9S","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ONV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OOE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OOH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OPV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TS3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TS9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TTA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TTI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TTJ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11786017","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21672603","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"30337572","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1K9S","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ONV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OOE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OOH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OPV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TS3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TS9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TTA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TTI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TTJ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	54
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PubMed","id":"30337572","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"4TS3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TS9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TTA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TTI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TTJ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	18
Details	Site: {"description":"Important for catalytic activity","evidences":[{"source":"HAMAP-Rule","id":"MF_01627","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"21672603","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"30337572","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	18
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"18723842","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
A	GLY20	electrostatic stabiliser
A	ARG24	electrostatic stabiliser
A	ARG43	electrostatic stabiliser
A	ARG87	electrostatic stabiliser
A	SER90	electrostatic stabiliser
A	ASP204	proton shuttle (general acid/base)
A	ARG217	enhance reactivity

---

site_id	MCSA10
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
J	GLY20	electrostatic stabiliser
J	ARG24	electrostatic stabiliser
J	ARG43	electrostatic stabiliser
J	ARG87	electrostatic stabiliser
J	SER90	electrostatic stabiliser
J	ASP204	proton shuttle (general acid/base)
J	ARG217	enhance reactivity

---

site_id	MCSA11
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
K	GLY20	electrostatic stabiliser
K	ARG24	electrostatic stabiliser
K	ARG43	electrostatic stabiliser
K	ARG87	electrostatic stabiliser
K	SER90	electrostatic stabiliser
K	ASP204	proton shuttle (general acid/base)
K	ARG217	enhance reactivity

---

site_id	MCSA12
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
L	GLY20	electrostatic stabiliser
L	ARG24	electrostatic stabiliser
L	ARG43	electrostatic stabiliser
L	ARG87	electrostatic stabiliser
L	SER90	electrostatic stabiliser
L	ASP204	proton shuttle (general acid/base)
L	ARG217	enhance reactivity

---

site_id	MCSA13
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
M	GLY20	electrostatic stabiliser
M	ARG24	electrostatic stabiliser
M	ARG43	electrostatic stabiliser
M	ARG87	electrostatic stabiliser
M	SER90	electrostatic stabiliser
M	ASP204	proton shuttle (general acid/base)
M	ARG217	enhance reactivity

---

site_id	MCSA14
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
N	GLY20	electrostatic stabiliser
N	ARG24	electrostatic stabiliser
N	ARG43	electrostatic stabiliser
N	ARG87	electrostatic stabiliser
N	SER90	electrostatic stabiliser
N	ASP204	proton shuttle (general acid/base)
N	ARG217	enhance reactivity

---

site_id	MCSA15
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
O	GLY20	electrostatic stabiliser
O	ARG24	electrostatic stabiliser
O	ARG43	electrostatic stabiliser
O	ARG87	electrostatic stabiliser
O	SER90	electrostatic stabiliser
O	ASP204	proton shuttle (general acid/base)
O	ARG217	enhance reactivity

---

site_id	MCSA16
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
P	GLY20	electrostatic stabiliser
P	ARG24	electrostatic stabiliser
P	ARG43	electrostatic stabiliser
P	ARG87	electrostatic stabiliser
P	SER90	electrostatic stabiliser
P	ASP204	proton shuttle (general acid/base)
P	ARG217	enhance reactivity

---

site_id	MCSA17
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
Q	GLY20	electrostatic stabiliser
Q	ARG24	electrostatic stabiliser
Q	ARG43	electrostatic stabiliser
Q	ARG87	electrostatic stabiliser
Q	SER90	electrostatic stabiliser
Q	ASP204	proton shuttle (general acid/base)
Q	ARG217	enhance reactivity

---

site_id	MCSA18
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
R	GLY20	electrostatic stabiliser
R	ARG24	electrostatic stabiliser
R	ARG43	electrostatic stabiliser
R	ARG87	electrostatic stabiliser
R	SER90	electrostatic stabiliser
R	ASP204	proton shuttle (general acid/base)
R	ARG217	enhance reactivity

---

site_id	MCSA2
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
B	GLY20	electrostatic stabiliser
B	ARG24	electrostatic stabiliser
B	ARG43	electrostatic stabiliser
B	ARG87	electrostatic stabiliser
B	SER90	electrostatic stabiliser
B	ASP204	proton shuttle (general acid/base)
B	ARG217	enhance reactivity

---

site_id	MCSA3
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
C	GLY20	electrostatic stabiliser
C	ARG24	electrostatic stabiliser
C	ARG43	electrostatic stabiliser
C	ARG87	electrostatic stabiliser
C	SER90	electrostatic stabiliser
C	ASP204	proton shuttle (general acid/base)
C	ARG217	enhance reactivity

---

site_id	MCSA4
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
D	GLY20	electrostatic stabiliser
D	ARG24	electrostatic stabiliser
D	ARG43	electrostatic stabiliser
D	ARG87	electrostatic stabiliser
D	SER90	electrostatic stabiliser
D	ASP204	proton shuttle (general acid/base)
D	ARG217	enhance reactivity

---

site_id	MCSA5
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
E	GLY20	electrostatic stabiliser
E	ARG24	electrostatic stabiliser
E	ARG43	electrostatic stabiliser
E	ARG87	electrostatic stabiliser
E	SER90	electrostatic stabiliser
E	ASP204	proton shuttle (general acid/base)
E	ARG217	enhance reactivity

---

site_id	MCSA6
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
F	GLY20	electrostatic stabiliser
F	ARG24	electrostatic stabiliser
F	ARG43	electrostatic stabiliser
F	ARG87	electrostatic stabiliser
F	SER90	electrostatic stabiliser
F	ASP204	proton shuttle (general acid/base)
F	ARG217	enhance reactivity

---

site_id	MCSA7
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
G	GLY20	electrostatic stabiliser
G	ARG24	electrostatic stabiliser
G	ARG43	electrostatic stabiliser
G	ARG87	electrostatic stabiliser
G	SER90	electrostatic stabiliser
G	ASP204	proton shuttle (general acid/base)
G	ARG217	enhance reactivity

---

site_id	MCSA8
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
H	GLY20	electrostatic stabiliser
H	ARG24	electrostatic stabiliser
H	ARG43	electrostatic stabiliser
H	ARG87	electrostatic stabiliser
H	SER90	electrostatic stabiliser
H	ASP204	proton shuttle (general acid/base)
H	ARG217	enhance reactivity

---

site_id	MCSA9
Number of Residues	7
Details	M-CSA 375

Chain	Residue	Details
I	GLY20	electrostatic stabiliser
I	ARG24	electrostatic stabiliser
I	ARG43	electrostatic stabiliser
I	ARG87	electrostatic stabiliser
I	SER90	electrostatic stabiliser
I	ASP204	proton shuttle (general acid/base)
I	ARG217	enhance reactivity

---