1S2V

Crystal structure of phosphoenolpyruvate mutase complexed with Mg(II)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0016853	molecular_function	isomerase activity
A	0032923	biological_process	organic phosphonate biosynthetic process
A	0046872	molecular_function	metal ion binding
A	0050188	molecular_function	phosphoenolpyruvate mutase activity
B	0003824	molecular_function	catalytic activity
B	0016853	molecular_function	isomerase activity
B	0032923	biological_process	organic phosphonate biosynthetic process
B	0046872	molecular_function	metal ion binding
B	0050188	molecular_function	phosphoenolpyruvate mutase activity
C	0003824	molecular_function	catalytic activity
C	0016853	molecular_function	isomerase activity
C	0032923	biological_process	organic phosphonate biosynthetic process
C	0046872	molecular_function	metal ion binding
C	0050188	molecular_function	phosphoenolpyruvate mutase activity
D	0003824	molecular_function	catalytic activity
D	0016853	molecular_function	isomerase activity
D	0032923	biological_process	organic phosphonate biosynthetic process
D	0046872	molecular_function	metal ion binding
D	0050188	molecular_function	phosphoenolpyruvate mutase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG A 1001

Chain	Residue
A	ASP85
A	ARG159
A	HOH1007
A	HOH1114
A	HOH1163
A	HOH1211
A	HOH1224

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG B 1002

Chain	Residue
B	HOH1196
B	HOH1234
B	HOH1235
B	HOH1236
B	HOH1238
B	ASP58
B	ASP85

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG C 1003

Chain	Residue
C	ASP58
C	ASP85
C	HOH1119
C	HOH1193
C	HOH1221
C	HOH1242
C	HOH1243

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG D 1004

Chain	Residue
D	ASP85
D	HOH1065
D	HOH1187
D	HOH1189
D	HOH1196
D	HOH1228

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Nucleophile","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1pym

Chain	Residue	Details
A	ASP58
A	LEU48
A	GLY47
A	LYS120

---

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1pym

Chain	Residue	Details
B	ASP58
B	LEU48
B	GLY47
B	LYS120

---

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 1pym

Chain	Residue	Details
C	ASP58
C	LEU48
C	GLY47
C	LYS120

---

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1pym

Chain	Residue	Details
D	ASP58
D	LEU48
D	GLY47

---

site_id	MCSA1
Number of Residues	11
Details	M-CSA 271

Chain	Residue	Details
A	SER46	electrostatic stabiliser, hydrogen bond donor, steric role
A	ARG159	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
A	HIS190	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
A	GLY47	electrostatic stabiliser, steric role
A	LEU48	electrostatic stabiliser, hydrogen bond donor, steric role
A	ASP58	metal ligand, nucleofuge, nucleophile, promote heterolysis
A	ASP85	electrostatic stabiliser, hydrogen bond donor, metal ligand
A	ASP87	electrostatic stabiliser, hydrogen bond donor
A	GLU114	electrostatic stabiliser, hydrogen bond donor
A	LYS120	electrostatic stabiliser, promote heterolysis
A	ASN122	electrostatic stabiliser, hydrogen bond donor, promote heterolysis

---

site_id	MCSA2
Number of Residues	12
Details	M-CSA 271

Chain	Residue	Details
B	SER46	electrostatic stabiliser, hydrogen bond donor, steric role
B	SER123	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
B	ARG159	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
B	HIS190	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
B	GLY47	electrostatic stabiliser, steric role
B	LEU48	electrostatic stabiliser, hydrogen bond donor, steric role
B	ASP58	metal ligand, nucleofuge, nucleophile, promote heterolysis
B	ASP85	electrostatic stabiliser, hydrogen bond donor, metal ligand
B	ASP87	electrostatic stabiliser, hydrogen bond donor
B	GLU114	electrostatic stabiliser, hydrogen bond donor
B	LYS120	electrostatic stabiliser, promote heterolysis
B	ASN122	electrostatic stabiliser, hydrogen bond donor, promote heterolysis

---

site_id	MCSA3
Number of Residues	10
Details	M-CSA 271

Chain	Residue	Details
C	SER46	electrostatic stabiliser, hydrogen bond donor, steric role
C	HIS190	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
C	GLY47	electrostatic stabiliser, steric role
C	LEU48	electrostatic stabiliser, hydrogen bond donor, steric role
C	ASP58	metal ligand, nucleofuge, nucleophile, promote heterolysis
C	ASP85	electrostatic stabiliser, hydrogen bond donor, metal ligand
C	ASP87	electrostatic stabiliser, hydrogen bond donor
C	GLU114	electrostatic stabiliser, hydrogen bond donor
C	LYS120	electrostatic stabiliser, promote heterolysis
C	ARG159	electrostatic stabiliser, hydrogen bond donor, promote heterolysis

---

site_id	MCSA4
Number of Residues	9
Details	M-CSA 271

Chain	Residue	Details
D	SER46	electrostatic stabiliser, hydrogen bond donor, steric role
D	GLY47	electrostatic stabiliser, steric role
D	LEU48	electrostatic stabiliser, hydrogen bond donor, steric role
D	ASP58	metal ligand, nucleofuge, nucleophile, promote heterolysis
D	ASP85	electrostatic stabiliser, hydrogen bond donor, metal ligand
D	ASP87	electrostatic stabiliser, hydrogen bond donor
D	GLU114	electrostatic stabiliser, hydrogen bond donor
D	ARG159	electrostatic stabiliser, hydrogen bond donor, promote heterolysis
D	HIS190	electrostatic stabiliser, hydrogen bond donor, promote heterolysis

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