5XIQ

Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Halofuginone

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004812	molecular_function	aminoacyl-tRNA ligase activity
A	0004827	molecular_function	proline-tRNA ligase activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0006418	biological_process	tRNA aminoacylation for protein translation
A	0006433	biological_process	prolyl-tRNA aminoacylation
B	0000166	molecular_function	nucleotide binding
B	0004812	molecular_function	aminoacyl-tRNA ligase activity
B	0004827	molecular_function	proline-tRNA ligase activity
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0006418	biological_process	tRNA aminoacylation for protein translation
B	0006433	biological_process	prolyl-tRNA aminoacylation
C	0000166	molecular_function	nucleotide binding
C	0004812	molecular_function	aminoacyl-tRNA ligase activity
C	0004827	molecular_function	proline-tRNA ligase activity
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0006418	biological_process	tRNA aminoacylation for protein translation
C	0006433	biological_process	prolyl-tRNA aminoacylation
D	0000166	molecular_function	nucleotide binding
D	0004812	molecular_function	aminoacyl-tRNA ligase activity
D	0004827	molecular_function	proline-tRNA ligase activity
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0006418	biological_process	tRNA aminoacylation for protein translation
D	0006433	biological_process	prolyl-tRNA aminoacylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	26
Details	binding site for residue ANP A 1001

Chain	Residue
A	ARG470
A	ARG594
A	HFG1002
A	MG1003
A	MG1004
A	HOH1102
A	HOH1103
A	HOH1110
A	HOH1120
A	HOH1138
A	HOH1139
A	GLU472
A	HOH1143
A	HOH1155
A	HOH1159
A	HOH1160
A	HOH1173
A	HOH1179
A	HOH1185
A	PHE479
A	LEU480
A	ARG481
A	THR482
A	PHE485
A	GLN555
A	THR592

---

site_id	AC2
Number of Residues	16
Details	binding site for residue HFG A 1002

Chain	Residue
A	PHE415
A	GLU418
A	VAL419
A	PRO438
A	THR439
A	GLU441
A	ARG470
A	TRP487
A	PHE534
A	THR558
A	HIS560
A	TRP589
A	GLY590
A	ANP1001
A	HOH1126
A	HOH1159

---

site_id	AC3
Number of Residues	5
Details	binding site for residue MG A 1003

Chain	Residue
A	ANP1001
A	HOH1103
A	HOH1110
A	HOH1120
A	HOH1159

---

site_id	AC4
Number of Residues	6
Details	binding site for residue MG A 1004

Chain	Residue
A	ANP1001
A	HOH1138
A	HOH1153
A	HOH1155
A	HOH1173
A	HOH1179

---

site_id	AC5
Number of Residues	22
Details	binding site for residue ANP B 1001

Chain	Residue
B	ARG470
B	GLU472
B	PHE479
B	LEU480
B	ARG481
B	THR482
B	PHE485
B	GLN555
B	THR558
B	THR592
B	ARG594
B	HFG1002
B	MG1003
B	MG1004
B	HOH1102
B	HOH1116
B	HOH1126
B	HOH1133
B	HOH1137
B	HOH1138
B	HOH1149
B	HOH1160

---

site_id	AC6
Number of Residues	13
Details	binding site for residue HFG B 1002

Chain	Residue
B	PHE415
B	GLU418
B	VAL419
B	THR439
B	GLU441
B	ARG470
B	TRP487
B	PHE534
B	THR558
B	HIS560
B	GLY590
B	ANP1001
B	HOH1126

---

site_id	AC7
Number of Residues	5
Details	binding site for residue MG B 1003

Chain	Residue
B	ANP1001
B	HOH1102
B	HOH1109
B	HOH1116
B	HOH1126

---

site_id	AC8
Number of Residues	6
Details	binding site for residue MG B 1004

Chain	Residue
B	GLU532
B	ANP1001
B	HOH1138
B	HOH1149
B	HOH1160
B	HOH1165

---

site_id	AC9
Number of Residues	22
Details	binding site for residue ANP C 1001

Chain	Residue
C	ARG470
C	GLU472
C	PHE479
C	LEU480
C	ARG481
C	THR482
C	PHE485
C	GLN555
C	THR592
C	ARG594
C	HFG1002
C	MG1003
C	MG1004
C	HOH1101
C	HOH1114
C	HOH1117
C	HOH1130
C	HOH1134
C	HOH1147
C	HOH1164
C	HOH1171
C	HOH1182

---

site_id	AD1
Number of Residues	13
Details	binding site for residue HFG C 1002

Chain	Residue
C	PHE415
C	GLU418
C	VAL419
C	PRO438
C	THR439
C	GLU441
C	ARG470
C	TRP487
C	PHE534
C	THR558
C	HIS560
C	ANP1001
C	HOH1130

---

site_id	AD2
Number of Residues	6
Details	binding site for residue MG C 1003

Chain	Residue
C	ARG470
C	ANP1001
C	HOH1101
C	HOH1114
C	HOH1117
C	HOH1130

---

site_id	AD3
Number of Residues	6
Details	binding site for residue MG C 1004

Chain	Residue
C	ANP1001
C	HOH1133
C	HOH1164
C	HOH1169
C	HOH1171
C	HOH1194

---

site_id	AD4
Number of Residues	22
Details	binding site for residue ANP D 1001

Chain	Residue
D	ARG470
D	GLU472
D	LYS474
D	LEU480
D	ARG481
D	THR482
D	PHE485
D	GLN555
D	THR592
D	ARG594
D	HFG1002
D	MG1003
D	MG1004
D	HOH1105
D	HOH1107
D	HOH1108
D	HOH1110
D	HOH1120
D	HOH1123
D	HOH1129
D	HOH1157
D	HOH1163

---

site_id	AD5
Number of Residues	15
Details	binding site for residue HFG D 1002

Chain	Residue
D	PHE415
D	GLU418
D	VAL419
D	PRO438
D	THR439
D	GLU441
D	ARG470
D	TRP487
D	PHE534
D	THR558
D	HIS560
D	GLY590
D	ANP1001
D	HOH1108
D	HOH1138

---

site_id	AD6
Number of Residues	5
Details	binding site for residue MG D 1003

Chain	Residue
D	ANP1001
D	HOH1105
D	HOH1108
D	HOH1110
D	HOH1120

---

site_id	AD7
Number of Residues	6
Details	binding site for residue MG D 1004

Chain	Residue
D	ANP1001
D	HOH1123
D	HOH1129
D	HOH1157
D	HOH1167
D	HOH1170

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