6RME

Structure of IMP bound Plasmodium falciparum IMP-nucleotidase mutant D172N

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0006190	biological_process	inosine salvage
A	0009117	biological_process	nucleotide metabolic process
A	0050483	molecular_function	IMP 5'-nucleotidase activity
B	0000287	molecular_function	magnesium ion binding
B	0006190	biological_process	inosine salvage
B	0009117	biological_process	nucleotide metabolic process
B	0050483	molecular_function	IMP 5'-nucleotidase activity
C	0000287	molecular_function	magnesium ion binding
C	0006190	biological_process	inosine salvage
C	0009117	biological_process	nucleotide metabolic process
C	0050483	molecular_function	IMP 5'-nucleotidase activity
D	0000287	molecular_function	magnesium ion binding
D	0006190	biological_process	inosine salvage
D	0009117	biological_process	nucleotide metabolic process
D	0050483	molecular_function	IMP 5'-nucleotidase activity
E	0000287	molecular_function	magnesium ion binding
E	0006190	biological_process	inosine salvage
E	0009117	biological_process	nucleotide metabolic process
E	0050483	molecular_function	IMP 5'-nucleotidase activity
F	0000287	molecular_function	magnesium ion binding
F	0006190	biological_process	inosine salvage
F	0009117	biological_process	nucleotide metabolic process
F	0050483	molecular_function	IMP 5'-nucleotidase activity
G	0000287	molecular_function	magnesium ion binding
G	0006190	biological_process	inosine salvage
G	0009117	biological_process	nucleotide metabolic process
G	0050483	molecular_function	IMP 5'-nucleotidase activity
H	0000287	molecular_function	magnesium ion binding
H	0006190	biological_process	inosine salvage
H	0009117	biological_process	nucleotide metabolic process
H	0050483	molecular_function	IMP 5'-nucleotidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	binding site for residue IMP A 501

Chain	Residue
A	ASP170
A	PHE358
A	ASP363
A	TRP365
A	ASP367
A	LYS371
A	ASN401
A	MG502
A	ASN172
A	ASP178
A	THR204
A	ALA205
A	ALA206
A	SER207
A	LYS305
A	SER308

---

site_id	AC2
Number of Residues	4
Details	binding site for residue MG A 502

Chain	Residue
A	ASP170
A	ASN172
A	ASP394
A	IMP501

---

site_id	AC3
Number of Residues	13
Details	binding site for residue IMP B 501

Chain	Residue
B	ASP170
B	ASN172
B	THR204
B	ALA205
B	ALA206
B	SER207
B	SER308
B	ASP363
B	TRP365
B	ASP367
B	LYS371
B	ASN401
B	MG502

---

site_id	AC4
Number of Residues	5
Details	binding site for residue MG B 502

Chain	Residue
B	ASP170
B	ASN172
B	ASP394
B	GLN395
B	IMP501

---

site_id	AC5
Number of Residues	16
Details	binding site for residue IMP C 501

Chain	Residue
C	ASP170
C	ASN172
C	THR204
C	ALA205
C	ALA206
C	SER207
C	LYS305
C	SER308
C	PHE358
C	ASP363
C	TRP365
C	ASP367
C	LYS371
C	GLN395
C	ASN401
C	MG502

---

site_id	AC6
Number of Residues	5
Details	binding site for residue MG C 502

Chain	Residue
C	ASP170
C	ASN172
C	ASP394
C	GLN395
C	IMP501

---

site_id	AC7
Number of Residues	14
Details	binding site for residue IMP D 501

Chain	Residue
D	ASP170
D	ASN172
D	THR204
D	ALA205
D	SER207
D	LYS305
D	SER308
D	PHE358
D	ASP363
D	TRP365
D	ASP367
D	LYS371
D	ASN401
D	MG502

---

site_id	AC8
Number of Residues	5
Details	binding site for residue MG D 502

Chain	Residue
D	ASP170
D	ASN172
D	ASP394
D	GLN395
D	IMP501

---

site_id	AC9
Number of Residues	5
Details	binding site for residue GOL D 503

Chain	Residue
D	GLN216
D	GLU220
D	GLU255
D	ALA256
D	THR257

---

site_id	AD1
Number of Residues	17
Details	binding site for residue IMP E 501

Chain	Residue
E	MG502
E	ASP170
E	ALA171
E	ASN172
E	ASP178
E	THR204
E	ALA205
E	ALA206
E	SER207
E	LYS305
E	PHE358
E	GLY360
E	ASP363
E	TRP365
E	ASP367
E	LYS371
E	ASN401

---

site_id	AD2
Number of Residues	4
Details	binding site for residue MG E 502

Chain	Residue
E	ASP170
E	ASN172
E	ASP394
E	IMP501

---

site_id	AD3
Number of Residues	5
Details	binding site for residue GOL E 503

Chain	Residue
E	GLN216
E	GLU220
E	GLU255
E	ALA256
E	THR257

---

site_id	AD4
Number of Residues	17
Details	binding site for residue IMP F 501

Chain	Residue
F	ASP170
F	ASN172
F	THR204
F	ALA205
F	ALA206
F	SER207
F	LYS305
F	SER308
F	PHE358
F	GLY360
F	ASP363
F	TRP365
F	ASP367
F	LYS371
F	GLN395
F	ASN401
F	MG502

---

site_id	AD5
Number of Residues	5
Details	binding site for residue MG F 502

Chain	Residue
F	ASP170
F	ASN172
F	ASP394
F	GLN395
F	IMP501

---

site_id	AD6
Number of Residues	13
Details	binding site for residue IMP G 501

Chain	Residue
G	ASP170
G	ASN172
G	THR204
G	ALA205
G	ALA206
G	SER207
G	SER308
G	ASP363
G	TRP365
G	ASP367
G	LYS371
G	ASN401
G	MG502

---

site_id	AD7
Number of Residues	6
Details	binding site for residue MG G 502

Chain	Residue
G	ASP170
G	ASN172
G	ASP394
G	GLN395
G	ASP402
G	IMP501

---

site_id	AD8
Number of Residues	15
Details	binding site for residue IMP H 501

Chain	Residue
H	ASP170
H	ALA171
H	ASN172
H	THR204
H	ALA205
H	ALA206
H	SER207
H	SER308
H	PHE358
H	ASP363
H	TRP365
H	ASP367
H	LYS371
H	ASN401
H	MG502

---

site_id	AD9
Number of Residues	4
Details	binding site for residue MG H 502

Chain	Residue
H	ASP170
H	ASN172
H	ASP394
H	IMP501

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Nucleophile => ECO:0000305|PubMed:32591529

Chain	Residue	Details
F	ASP170
H	ASP170

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	ACT_SITE: Proton donor => ECO:0000305|PubMed:32591529

Chain	Residue	Details
F	ASN172
H	ASN172

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:32591529, ECO:0007744|PDB:6RMD

Chain	Residue	Details
F	LYS132
F	HIS150
H	LYS132
H	HIS150

---

site_id	SWS_FT_FI4
Number of Residues	9
Details	BINDING: BINDING => ECO:0000269|PubMed:32591529, ECO:0007744|PDB:6RME, ECO:0007744|PDB:6RMW

Chain	Residue	Details
F	ASP170
H	ASP170
H	ASN172
H	ASP178
H	THR204
H	SER207
H	SER308
H	ASP363
H	LYS371
H	ASP394
F	ASN172
F	ASP178
F	THR204
F	SER207
F	SER308
F	ASP363
F	LYS371
F	ASP394

---