-->
Receptor
PDB id Resolution Class Description Source Keywords
1P19 2.3 Å EC: 2.4.2.8 HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE FROM TRYPANOSOMA CRUZI, IN COMPLEX WITH THE PRODUCT IMP TRYPANOSOMA CRUZI TRANSFERASE GLYCOSYLTRANSFERASE PHOSPHORIBOSYLTRANSFERASENUCLEOTIDE METABOLISM PURINE SALVAGE PRODUCT COMPLEX
Ref.: INTERACTIONS AT THE DIMER INTERFACE INFLUENCE THE RELATIVE EFFICIENCIES FOR PURINE NUCLEOTIDE SYNTHESIS AND PYROPHOSPHOROLYSIS IN A PHOSPHORIBOSYLTRANSFERASE. J.MOL.BIOL. V. 335 905 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMP A:1300;
B:2300;
C:3300;
D:4300;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 76.8 uM
348.206 C10 H13 N4 O8 P c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P19 2.3 Å EC: 2.4.2.8 HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE FROM TRYPANOSOMA CRUZI, IN COMPLEX WITH THE PRODUCT IMP TRYPANOSOMA CRUZI TRANSFERASE GLYCOSYLTRANSFERASE PHOSPHORIBOSYLTRANSFERASENUCLEOTIDE METABOLISM PURINE SALVAGE PRODUCT COMPLEX
Ref.: INTERACTIONS AT THE DIMER INTERFACE INFLUENCE THE RELATIVE EFFICIENCIES FOR PURINE NUCLEOTIDE SYNTHESIS AND PYROPHOSPHOROLYSIS IN A PHOSPHORIBOSYLTRANSFERASE. J.MOL.BIOL. V. 335 905 2004
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1I0L - PRP C5 H13 O14 P3 C([C@@H]1[....
2 1TC2 - PRP C5 H13 O14 P3 C([C@@H]1[....
3 1I0I - PRP C5 H13 O14 P3 C([C@@H]1[....
4 1P19 Kd = 76.8 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
5 1P18 - PRP C5 H13 O14 P3 C([C@@H]1[....
6 1TC1 ic50 > 2 mM FMB C10 H12 N4 O5 C1=Nc2c(n[....
7 1I14 - PRP C5 H13 O14 P3 C([C@@H]1[....
8 1I13 - PRP C5 H13 O14 P3 C([C@@H]1[....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1I0L - PRP C5 H13 O14 P3 C([C@@H]1[....
2 1TC2 - PRP C5 H13 O14 P3 C([C@@H]1[....
3 1I0I - PRP C5 H13 O14 P3 C([C@@H]1[....
4 1P19 Kd = 76.8 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
5 1P18 - PRP C5 H13 O14 P3 C([C@@H]1[....
6 1TC1 ic50 > 2 mM FMB C10 H12 N4 O5 C1=Nc2c(n[....
7 1I14 - PRP C5 H13 O14 P3 C([C@@H]1[....
8 1I13 - PRP C5 H13 O14 P3 C([C@@H]1[....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1PZM - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
2 5KAM Ki = 77.3 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
3 6APS Ki = 0.22 uM SV2 C11 H19 N5 O9 P2 c1nc2c(n1C....
4 6APU Ki = 13.46 uM 3L6 C12 H22 N7 O4 P c1nc2c(n1C....
5 5JSQ Ki = 21.3 uM 6MS C11 H18 N5 O4 P c1nc2c(n1C....
6 6APV Ki = 0.11 uM 3L4 C12 H20 N6 O8 P2 c1nc2c(n1C....
7 6APT Ki = 0.89 uM 45T C12 H21 N5 O9 P2 c1nc2c(n1C....
8 4RHY Ki = 1.13 uM 3QG C15 H29 N6 O10 P3 c1nc2c(n1C....
9 4RHX Ki = 1.6 uM 3QF C15 H27 N7 O8 P2 c1nc2c(n1C....
10 1HGX - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
11 1I0L - PRP C5 H13 O14 P3 C([C@@H]1[....
12 1TC2 - PRP C5 H13 O14 P3 C([C@@H]1[....
13 1I0I - PRP C5 H13 O14 P3 C([C@@H]1[....
14 1P19 Kd = 76.8 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
15 1P18 - PRP C5 H13 O14 P3 C([C@@H]1[....
16 1TC1 ic50 > 2 mM FMB C10 H12 N4 O5 C1=Nc2c(n[....
17 1I14 - PRP C5 H13 O14 P3 C([C@@H]1[....
18 1I13 - PRP C5 H13 O14 P3 C([C@@H]1[....
19 3ACD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
20 3ACC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
21 1YFZ Ki = 45 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IMP; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 IMP 1 1
2 IDP 0.824324 0.986111
3 R7I 0.759494 0.958904
4 R5I 0.759494 0.958904
5 NOS 0.724638 0.835616
6 5GP 0.609756 0.972603
7 G 0.609756 0.972603
8 DI 0.578313 0.92
9 SIB 0.549451 0.772152
10 93A 0.523256 0.841463
11 GDP 0.505495 0.959459
12 GP3 0.494505 0.934211
13 C2R 0.493827 0.891892
14 GTP 0.489362 0.959459
15 GP2 0.48913 0.922078
16 GNH 0.483871 0.946667
17 G2P 0.479167 0.922078
18 AMZ 0.47561 0.90411
19 SNI 0.475 0.8
20 GMV 0.473684 0.934211
21 GAV 0.469388 0.922078
22 GCP 0.46875 0.934211
23 G1R 0.46875 0.946667
24 AIR 0.468354 0.888889
25 PRT 0.466019 0.972222
26 NIA 0.464286 0.835443
27 9GM 0.463918 0.934211
28 GNP 0.463918 0.934211
29 GSP 0.463918 0.910256
30 AMP 0.458824 0.90411
31 1RB 0.458824 0.847222
32 A 0.458824 0.90411
33 ALF 5GP 0.458333 0.875
34 6SW 0.456522 0.930556
35 RBZ 0.453488 0.837838
36 GPG 0.45098 0.922078
37 7RP 0.448276 0.888889
38 GKE 0.447619 0.922078
39 GDC 0.447619 0.922078
40 GDD 0.447619 0.922078
41 RMB 0.443182 0.835616
42 AAM 0.443182 0.90411
43 P2P 0.443182 0.864865
44 IMO 0.443182 0.890411
45 7RA 0.443182 0.891892
46 FAI 0.443182 0.90411
47 JLN 0.443182 0.90411
48 G2R 0.441176 0.922078
49 G7M 0.43956 0.934211
50 XMP 0.438202 0.932432
51 IRN 0.435897 0.830986
52 Y9Z 0.433962 0.865854
53 71V 0.433333 0.825
54 PMO 0.433333 0.813333
55 GDP AF3 0.431373 0.875
56 ALF GDP 0.431373 0.875
57 GDP ALF 0.431373 0.875
58 JB2 0.431193 0.922078
59 GKD 0.431193 0.922078
60 GFB 0.429907 0.922078
61 GDR 0.429907 0.922078
62 6CK 0.425926 0.898734
63 G3A 0.425926 0.934211
64 YGP 0.424528 0.8875
65 G5P 0.422018 0.934211
66 PGS 0.419355 0.825
67 GTG 0.416667 0.898734
68 RVP 0.416667 0.837838
69 GDX 0.414414 0.934211
70 GUO 0.41 0.931507
71 GMP 0.406977 0.84
72 U2G 0.405172 0.898734
73 2SA 0.40404 0.894737
74 G G 0.40367 0.934211
75 6C6 0.402062 0.846154
76 GPD 0.401786 0.8875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P19; Ligand: IMP; Similar sites found with APoc: 150
This union binding pocket(no: 1) in the query (biounit: 1p19.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5UBG PRT None
2 1QD0 RR6 None
3 3TAY MN0 None
4 1UQX MMA None
5 4OHU NAD 1.35747
6 4OHU 2TK 1.35747
7 3E5A VX6 1.35747
8 3AFN NAP 1.35747
9 1XCL SAH 1.80995
10 3H4V NAP 1.80995
11 1P1C SAH 2.01005
12 4WQQ MAN 2.12766
13 5L2R MLA 2.26244
14 1UNB PN1 2.26244
15 4I54 1C1 2.26244
16 1UNB AKG 2.26244
17 6BYF CIT 2.35294
18 1TLG GAL 2.4
19 4POO SAM 2.5
20 2DKH FAD 2.71493
21 3GRU AMP 2.71493
22 2WE0 UMP 2.71493
23 2A92 NAI 2.71493
24 5Y5Q DUT 2.87356
25 4Z87 GDP 3.16742
26 3MB5 SAM 3.16742
27 3SJ7 NDP 3.16742
28 3CGB FAD 3.16742
29 1QNF FAD 3.16742
30 5B3A 0JO 3.16742
31 1XHL NDP 3.16742
32 1R18 SAH 3.16742
33 2PD4 NAD 3.16742
34 5WP5 SAH 3.16742
35 4R74 F6P 3.16742
36 4XJC TTP 3.38983
37 1D6S PLP MET 3.61991
38 1D6S MET PLP 3.61991
39 5U19 SAH 3.61991
40 5U19 827 3.61991
41 2ZXI FAD 3.61991
42 1Q1R FAD 3.61991
43 5CEO 50D 3.61991
44 4NAE 1GP 3.61991
45 5DMZ ADP 3.61991
46 1QAN SAH 4.0724
47 5WXU FLC 4.0724
48 1YKJ FAD 4.0724
49 3GAY P6T 4.0724
50 5FOI MY8 4.0724
51 1WG8 SAM 4.0724
52 3C56 PH4 4.0724
53 2Z3U CRR 4.23529
54 5TWJ SAM 4.32099
55 1UVC STE 4.3956
56 3HRD FAD 4.52489
57 1F0X FAD 4.52489
58 3KO8 NAD 4.52489
59 5THQ NDP 4.52489
60 3X44 PUS 4.52489
61 3LXD FAD 4.97738
62 1XKQ NDP 4.97738
63 3OJF NDP 4.97738
64 4A22 TD4 4.97738
65 1IDA 0PO 5.05051
66 1JG3 ADN 5.42986
67 4BUZ OCZ 5.42986
68 4BUZ NAD 5.42986
69 4BUZ OAD 5.42986
70 3MBI HSX 5.88235
71 1O5O U5P 5.88235
72 3S1S SAH 5.88235
73 3B8X G4M 5.88235
74 3C3Y SAH 5.88235
75 6C2Z P1T 5.88235
76 1QB7 ADE 6.33484
77 1T3Q FAD 6.33484
78 3EKK GS2 6.33484
79 2HNK SAH 6.33484
80 2PWY SAH 6.33484
81 4YCA NDP 6.33484
82 4GLL NAD 6.33484
83 5A89 FMN 6.41026
84 5A89 ADP 6.41026
85 1L1Q 9DA 6.45161
86 3LN9 FLC 6.47482
87 3W8X FTK 6.78733
88 3W8X FAD 6.78733
89 3HVJ 705 6.78733
90 5AE2 FYC 6.78733
91 5AE2 FAD 6.78733
92 2XCG XCG 6.78733
93 5TCI MLI 6.78733
94 2FXV 5GP 7.2165
95 1N62 FAD 7.23982
96 4D9C PMP 7.23982
97 3QH2 3NM 7.23982
98 5Y6Q FAD 7.40741
99 1MZV AMP 7.69231
100 3PC3 P1T 7.69231
101 5VW2 FDA 7.69231
102 5VW2 NAP 7.69231
103 4C2W ANP 7.69231
104 4XV1 904 7.69231
105 5C79 PBU 8
106 1FFU FAD 8.1448
107 1I52 CTP 8.1448
108 3VC3 C6P 8.43023
109 4ZOH FAD 8.59729
110 1UPF URF 9.04977
111 5G5G FAD 9.04977
112 1DL5 SAH 9.04977
113 2Q4W FAD 9.04977
114 1LH0 ORO 9.38967
115 1LH0 PRP 9.38967
116 1V97 FAD 9.50226
117 1FIQ FAD 9.50226
118 1V7C HEY 9.50226
119 1E8G FAD 9.50226
120 1E8G FCR 9.50226
121 5L0U 660 9.50226
122 1T57 FMN 9.70874
123 5D85 P1T 9.95475
124 5KVA SAM 9.95475
125 5N2F 8HW 10.3175
126 3ZEI AWH 10.4072
127 4ZW3 4S9 10.4072
128 1P4A PCP 10.4072
129 5WS9 AMP 10.4072
130 1RF6 GPJ 10.8597
131 1RF6 S3P 10.8597
132 5K6A NAP 10.8597
133 3NRZ FAD 10.9756
134 2PS1 PRP 11.3122
135 2PS1 ORO 11.3122
136 2XK9 XK9 11.3122
137 3K37 BCZ 12.2172
138 1J0D 5PA 12.2172
139 4B8V NDG NAG NAG NAG 12.2172
140 2Q16 ITT 12.7854
141 4YSW NAI 13.5747
142 4YSW FAD 13.5747
143 6FCH PRP 14.6067
144 1I1N SAH 16.2896
145 5VJN ADE 16.5775
146 5VJN IR8 16.5775
147 4P83 U5P 19.2308
148 4P86 5GP 19.6721
149 1XTT U5P 22.6852
150 4JLS 3ZE 45.3947
Pocket No.: 2; Query (leader) PDB : 1P19; Ligand: IMP; Similar sites found with APoc: 88
This union binding pocket(no: 2) in the query (biounit: 1p19.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3ORQ ADP None
2 3VPD ANP None
3 2AE2 NAP 1.35747
4 2AE2 PTO 1.35747
5 1E6W NAD 1.35747
6 1E3W NAD 1.35747
7 2JAP NDP 1.35747
8 2JAH NDP 1.35747
9 1NAA 6FA 1.80995
10 1U7T TDT 1.80995
11 5YSS NAD 1.80995
12 3O26 NDP 1.80995
13 2B4Q NAP 2.26244
14 5OCS FMN 2.26244
15 2AG5 NAD 2.26244
16 5GWT NAD 2.71493
17 1FK8 NAD 2.71493
18 1Z6Z NAP 2.71493
19 5GWT SIN 2.71493
20 6G0X RAM GLC GLA NAG NDG NAG 2.71493
21 1GEE NAD 2.71493
22 5THY SAH 2.71493
23 2BD0 NAP 2.71493
24 1V0O INR 2.71493
25 2J4D FAD 2.71493
26 5K2M ADP 3.16742
27 1X1T NAD 3.16742
28 3C3D FO1 3.16742
29 6BSX GDP 3.37079
30 4Y9J UCC 3.61991
31 1G0N NDP 3.61991
32 1G0N PHH 3.61991
33 4J7U YTZ 3.61991
34 4J7U NAP 3.61991
35 1RO7 CSF 3.61991
36 5H3A D16 3.61991
37 5T2U NAP 3.62903
38 5ZM0 FAD 4.0724
39 3NUG NAD 4.0724
40 1I00 D16 4.0724
41 1I00 UMP 4.0724
42 1IY8 NAD 4.52489
43 4R78 AMP 4.52489
44 3RI1 3RH 4.97738
45 1A27 NAP 4.97738
46 2Q2V NAD 4.97738
47 5GT9 NAP 4.97738
48 3QWI NAP 4.97738
49 5JGA 6KC 4.97738
50 3UMV FAD 5.42986
51 1U3D FAD 5.42986
52 3QTP 2PG 5.42986
53 3NRR UMP 5.42986
54 5MSO NAP 5.88235
55 1XG5 NAP 5.88235
56 5VZ0 ADP 5.88235
57 6CI9 NAP 5.88235
58 2CFC NAD 5.88235
59 4FN4 NAD 6.33484
60 1NP7 FAD 6.33484
61 4CQM NAP 6.78733
62 2WSB NAD 7.23982
63 2CSN CKI 7.23982
64 1W73 NAP 7.23982
65 2V92 ATP 7.64331
66 2V92 AMP 7.64331
67 5L4L NAP 7.69231
68 5L4L 7OX 7.69231
69 4C2V YJA 7.69231
70 4N14 WR7 8.1448
71 4FL3 ANP 8.1448
72 4ZAH T5K 8.1448
73 5WP4 SAH 8.59729
74 5LYR MAN MNM 9.04977
75 1DNP FAD 9.04977
76 4F9C 0SX 9.72222
77 1QG6 TCL 9.95475
78 1QG6 NAD 9.95475
79 4MZU COA 10.4072
80 6F9Q NAD 10.4072
81 2VQD AP2 12.2172
82 3BGD SAH 12.6697
83 1I0S FMN 13.6095
84 5YW5 ADE 13.9665
85 1AE1 NAP 15.3846
86 2D1S SLU 17.6471
87 4DJA FAD 19.457
88 4DJA DLZ 19.457
Pocket No.: 3; Query (leader) PDB : 1P19; Ligand: IMP; Similar sites found with APoc: 16
This union binding pocket(no: 3) in the query (biounit: 1p19.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1YQS BSA 0.904977
2 5GZK BGC BGC BGC 2.26244
3 1XX6 ADP 2.6178
4 5MW4 5JU 3.61991
5 5H3A UMP 3.61991
6 4PYA 2X3 4.96894
7 3OJF IMJ 4.97738
8 2CXG GLC GLC 5.42986
9 1QHO MAL 6.33484
10 4PPF FLC 6.33484
11 5E5U MLI 7.03518
12 4OYA 1VE 7.23982
13 6CDZ UMP 9.50226
14 2A9W UMP 9.50226
15 4K6B GLU 13.0435
16 1UW1 ADP 13.75
Pocket No.: 4; Query (leader) PDB : 1P19; Ligand: IMP; Similar sites found with APoc: 7
This union binding pocket(no: 4) in the query (biounit: 1p19.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3IHB GLU 2.26244
2 1BCJ NGA 3.8961
3 3B6R CRN 4.0724
4 2I6U CP 4.23453
5 1WLJ U5P 5.29101
6 2QLU ADE 5.42986
7 5BOE PEP 6.33484
Pocket No.: 5; Query (leader) PDB : 1P19; Ligand: IMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1p19.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1P19; Ligand: IMP; Similar sites found with APoc: 4
This union binding pocket(no: 6) in the query (biounit: 1p19.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3H4V DVP 1.80995
2 3FXU TSU 3.16742
3 3KPB SAM 6.55738
4 3JQ9 NAP 10.8597
Pocket No.: 7; Query (leader) PDB : 1P19; Ligand: IMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1p19.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1P19; Ligand: IMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1p19.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback