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Receptor
PDB id Resolution Class Description Source Keywords
1HGX 1.9 Å EC: 2.4.2.8 HYPOXANTHINE-GUANINE-XANTHINE PHOSPHORIBOSYLTRANSFERASE (HGXPRTASE) TRITRICHOMONAS FOETUS TRANSFERASE GLYCOSYLTRANSFERASE PURINE SALVAGE TRANSFERASE (GLYCOSYLTRANSFERASE)
Ref.: CRYSTAL STRUCTURE OF THE HYPOXANTHINE-GUANINE-XANTHINE PHOSPHORIBOSYLTRANSFERASE FROM THE PROTOZOAN PARASITE TRITRICHOMONAS FOETUS. BIOCHEMISTRY V. 35 7032 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5GP A:600;
Valid;
none;
submit data
363.221 C10 H14 N5 O8 P c1nc2...
SO4 B:700;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HGX 1.9 Å EC: 2.4.2.8 HYPOXANTHINE-GUANINE-XANTHINE PHOSPHORIBOSYLTRANSFERASE (HGXPRTASE) TRITRICHOMONAS FOETUS TRANSFERASE GLYCOSYLTRANSFERASE PURINE SALVAGE TRANSFERASE (GLYCOSYLTRANSFERASE)
Ref.: CRYSTAL STRUCTURE OF THE HYPOXANTHINE-GUANINE-XANTHINE PHOSPHORIBOSYLTRANSFERASE FROM THE PROTOZOAN PARASITE TRITRICHOMONAS FOETUS. BIOCHEMISTRY V. 35 7032 1996
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1HGX - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1HGX - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
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: 5GP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 G 1 1
2 5GP 1 1
3 GDP 0.828947 0.986486
4 GP3 0.815789 0.960526
5 GP2 0.805195 0.948052
6 GTP 0.797468 0.986486
7 GNH 0.794872 0.973333
8 G2P 0.777778 0.948052
9 GMV 0.775 0.960526
10 G1R 0.765432 0.973333
11 GCP 0.765432 0.960526
12 GAV 0.759036 0.948052
13 GSP 0.756098 0.935897
14 GNP 0.756098 0.960526
15 9GM 0.756098 0.960526
16 ALF 5GP 0.753086 0.9
17 GMP 0.732394 0.866667
18 GPG 0.724138 0.948052
19 G2R 0.712644 0.948052
20 ALF GDP 0.701149 0.9
21 GDP ALF 0.701149 0.9
22 GDP AF3 0.701149 0.9
23 GKE 0.692308 0.948052
24 Y9Z 0.692308 0.890244
25 GDC 0.692308 0.948052
26 GDD 0.692308 0.948052
27 YGP 0.681319 0.9125
28 G3A 0.677419 0.960526
29 G5P 0.670213 0.960526
30 GFB 0.666667 0.948052
31 GDR 0.666667 0.948052
32 GTG 0.666667 0.924051
33 6CK 0.659574 0.924051
34 3GP 0.65 0.959459
35 G G 0.648936 0.960526
36 GKD 0.645833 0.948052
37 JB2 0.645833 0.948052
38 GDX 0.639175 0.960526
39 GPD 0.639175 0.9125
40 GDP 7MG 0.635417 0.923077
41 G3D 0.617977 0.972973
42 U2G 0.617647 0.924051
43 2GP 0.609756 0.946667
44 IMP 0.609756 0.972603
45 JB3 0.607843 0.935897
46 CG2 0.605769 0.924051
47 G4P 0.604396 0.972973
48 DGP 0.60241 0.922078
49 DG 0.60241 0.922078
50 FEG 0.601942 0.890244
51 NGD 0.601942 0.948052
52 ZGP 0.596154 0.879518
53 0O2 0.595745 0.972973
54 2MD 0.584906 0.879518
55 G7M 0.583333 0.960526
56 CAG 0.583333 0.869048
57 G A A A 0.579439 0.935065
58 A G 0.579439 0.947368
59 U A G G 0.574074 0.947368
60 MGD 0.568807 0.879518
61 DBG 0.566372 0.935897
62 PGD 0.5625 0.9125
63 MD1 0.5625 0.879518
64 P2G 0.55814 0.894737
65 GCP G 0.556701 0.933333
66 FE9 0.553571 0.784946
67 P1G 0.545455 0.883117
68 GH3 0.542553 0.96
69 TPG 0.53913 0.829545
70 GPX 0.53125 0.933333
71 DGI 0.527473 0.910256
72 G1R G1R 0.525862 0.911392
73 G U 0.522936 0.911392
74 PGD O 0.521368 0.83908
75 DGT 0.521277 0.910256
76 G4M 0.520325 0.869048
77 AKW 0.513761 0.878049
78 G C 0.513514 0.911392
79 93A 0.511364 0.821429
80 IDP 0.505495 0.959459
81 MGQ 0.505155 0.948052
82 C2R 0.5 0.893333
83 A 0.5 0.905405
84 AMZ 0.5 0.905405
85 BGO 0.5 0.911392
86 AMP 0.5 0.905405
87 AIR 0.493671 0.890411
88 MGV 0.49 0.901235
89 SGP 0.488889 0.8375
90 NIA 0.488095 0.8375
91 GPC 0.474138 0.890244
92 G G G RPC 0.473684 0.886076
93 GGM 0.473684 0.888889
94 71V 0.47191 0.85
95 APC G U 0.470085 0.897436
96 R5I 0.46875 0.933333
97 R7I 0.46875 0.933333
98 MGP 0.46875 0.948052
99 35G 0.468085 0.945946
100 PCG 0.468085 0.945946
101 C2E 0.468085 0.933333
102 G1G 0.466102 0.9125
103 AAM 0.465909 0.905405
104 RMB 0.465909 0.813333
105 FAI 0.465909 0.905405
106 7RA 0.465909 0.918919
107 1RB 0.465116 0.824324
108 6G0 0.463918 0.948052
109 5GP 5GP 0.463158 0.894737
110 G G G C 0.462185 0.924051
111 RBZ 0.45977 0.815789
112 UCG 0.459016 0.923077
113 A G C C 0.458333 0.923077
114 DG DG 0.456311 0.876543
115 G U34 0.45614 0.9
116 IMO 0.449438 0.866667
117 A G U 0.446154 0.9
118 G C C C 0.443548 0.935897
119 IRN 0.443038 0.808219
120 PMO 0.43956 0.792208
121 7RP 0.438202 0.864865
122 GTA 0.436364 0.924051
123 JLN 0.433333 0.88
124 P2P 0.433333 0.842105
125 A G U U 0.42963 0.9
126 XMP 0.428571 0.907895
127 PGS 0.425532 0.804878
128 RVP 0.423529 0.84
129 G2Q 0.423077 0.948052
130 ADP 0.419355 0.906667
131 ABM 0.417582 0.857143
132 A2D 0.417582 0.881579
133 PRT 0.416667 0.945946
134 GUO 0.415842 0.932432
135 AT4 0.414894 0.871795
136 CA0 0.410526 0.883117
137 2SA 0.41 0.871795
138 1YD 0.409091 0.933333
139 4BW 0.409091 0.933333
140 A12 0.408602 0.871795
141 AP2 0.408602 0.871795
142 BA3 0.408602 0.881579
143 6C6 0.408163 0.825
144 25A 0.407767 0.906667
145 NOS 0.406977 0.813333
146 HEJ 0.40625 0.906667
147 ATP 0.40625 0.906667
148 AP5 0.404255 0.881579
149 B4P 0.404255 0.881579
150 ACQ 0.40404 0.883117
151 6IA 0.40404 0.785714
152 ANP 0.40404 0.883117
153 CGP 0.403361 0.878049
154 APC 0.402062 0.871795
155 3ZE 0.402062 0.871795
156 5FA 0.402062 0.906667
157 AQP 0.402062 0.906667
158 N6P 0.4 0.853333
159 AN2 0.4 0.894737
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HGX; Ligand: 5GP; Similar sites found with APoc: 223
This union binding pocket(no: 1) in the query (biounit: 1hgx.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1I9G SAM None
2 4WQQ MAN None
3 1BCJ NGA None
4 1D6S PLP MET 1.5528
5 1D6S MET PLP 1.5528
6 1P1C SAH 1.63934
7 1AG9 FMN 1.71429
8 4WOH 4NP 1.80723
9 3DR4 G4M 2.18579
10 5WXU FLC 2.18579
11 5C9P FUC 2.18579
12 1WG8 SAM 2.18579
13 4POO SAM 2.18579
14 3X44 PUS 2.18579
15 1JZN BGC GAL 2.22222
16 5Y5Q DUT 2.29885
17 3TAY MN0 2.45399
18 1V97 FAD 2.73224
19 2XK9 XK9 2.73224
20 3OU2 SAH 2.73224
21 3RNM FAD 2.73224
22 3PC3 P1T 2.73224
23 5UBG PRT 3.27869
24 2Q4W FAD 3.27869
25 1I1N SAH 3.27869
26 3C3Y SAH 3.27869
27 4ZAH T5K 3.27869
28 3CGB FAD 3.27869
29 2DPM SAM 3.27869
30 2F5Z FAD 3.27869
31 5H2U 1N1 3.27869
32 3EKK GS2 3.27869
33 1Q0S SAH 3.27869
34 3P7G MAN 3.42466
35 3S1S SAH 3.82514
36 5VLQ ANP 3.82514
37 3HVJ 705 3.82514
38 5EB4 FAD 3.82514
39 4OYA 1VE 3.82514
40 5ERG SAM 3.82514
41 3WVR AMP 3.82514
42 1RRC ADP 3.82514
43 4HKP TKW 3.82514
44 4KCT FDP 3.82514
45 5DX1 SFG 3.82514
46 3LAD FAD 3.82514
47 2GOU FMN 3.82514
48 4IP7 FBP 3.82514
49 4D9C PMP 3.82514
50 4SGA ACE PRO ALA PRO PHE 3.8674
51 1PNO NAP 3.88889
52 6BYF CIT 4.11765
53 4GV8 DUP 4.14201
54 1QB7 ADE 4.37158
55 1XCL SAH 4.37158
56 1T57 FMN 4.37158
57 2RAB NAD 4.37158
58 2RAB FAD 4.37158
59 4P8K 38C 4.37158
60 4P8K FAD 4.37158
61 5U19 SAH 4.37158
62 5U19 827 4.37158
63 4D62 SIA 4.37158
64 4P5Z Q7M 4.37158
65 1NW5 SAM 4.37158
66 3OJF NDP 4.37158
67 5TUF FAD 4.37158
68 1YKJ FAD 4.37158
69 1RHC F42 ACN 4.37158
70 3Q9T FAY 4.37158
71 1TLG GAL 4.8
72 5VJN ADE 4.91803
73 5VJN IR8 4.91803
74 1XTT U5P 4.91803
75 3MB5 SAM 4.91803
76 1RM6 FAD 4.91803
77 2GQT FAD 4.91803
78 4D04 FAD 4.91803
79 4D04 NAP 4.91803
80 4I54 1C1 4.91803
81 1QHO MAL 4.91803
82 4Z87 GDP 4.91803
83 4PPF FLC 4.91803
84 5OC1 FAD 4.91803
85 5MW4 5JU 4.91803
86 3WGT QSC 4.91803
87 3WGT FAD 4.91803
88 2DKH FAD 4.91803
89 1P0F NAP 4.91803
90 2D2F ADP 4.91803
91 3GDH SAH 4.97925
92 6EV2 BGC 5.06912
93 2X2T GAL NGA 5.22876
94 1UJP CIT 5.46448
95 1TLL FMN 5.46448
96 3HQP FDP 5.46448
97 3SJ7 NDP 5.46448
98 1H0H 2MD 5.46448
99 4X9M FAD 5.50239
100 5THY SAH 5.67901
101 1CZR FMN 5.91716
102 5MZI FYK 6.01093
103 5MZI FAD 6.01093
104 1WY7 SAH 6.01093
105 4D42 NAP 6.01093
106 4D42 W0I 6.01093
107 2F6U CIT 6.01093
108 5Y77 FAD 6.01093
109 3F81 STT 6.01093
110 4PW9 MSS 6.01093
111 1UJ2 ADP 6.01093
112 3H4V NAP 6.01093
113 1UJ2 C5P 6.01093
114 5K9B FMN 6.11111
115 1I1D 16G 6.21118
116 5NIU 8YZ 6.25
117 1MZV AMP 6.55738
118 4NAE 1GP 6.55738
119 1DQX BMP 6.55738
120 1COY AND 6.55738
121 1COY FAD 6.55738
122 1QO8 FAD 6.55738
123 3SHR CMP 6.55738
124 1N62 FAD 6.62651
125 3ZEI AWH 7.10383
126 1FIQ FAD 7.10383
127 1DL5 SAH 7.10383
128 3QH2 3NM 7.10383
129 3VYW SAM 7.10383
130 3B8X G4M 7.10383
131 1NAA 6FA 7.10383
132 2ZXI FAD 7.10383
133 1V7C HEY 7.10383
134 2HNK SAH 7.10383
135 2UUU FAD 7.10383
136 3HRD FAD 7.5
137 1FFU FAD 7.65027
138 3CIF G3H 7.65027
139 4ZOH FAD 7.65027
140 1SL6 GAL NDG FUC 7.65027
141 3TLJ SAH 7.65027
142 6FHO FAD 7.65027
143 5D85 P1T 7.65027
144 3TKA SAM 7.65027
145 4C2V YJA 7.65027
146 3NRZ FAD 7.92683
147 1O5O U5P 8.19672
148 3GDN HBX 8.19672
149 5HSA FAS 8.19672
150 4M8E 29V 8.19672
151 3GDN FAD 8.19672
152 1N2X SAM 8.19672
153 1M2Z BOG 8.19672
154 5KVA SAM 8.27338
155 5AE2 FYC 8.74317
156 5AE2 FAD 8.74317
157 5G5G FAD 9.28962
158 5MQW GTP 9.28962
159 5MQW ATP 9.28962
160 4DSG FAD 9.28962
161 1YC5 NCA 9.28962
162 5GVR LMR 9.28962
163 4M37 SAH 9.28962
164 4BUZ OAD 9.28962
165 4BUZ OCZ 9.28962
166 4BUZ NAD 9.28962
167 5H68 AGS 9.28962
168 2J4D FAD 9.28962
169 3GRU AMP 9.28962
170 3W8X FTK 9.82906
171 3W8X FAD 9.82906
172 1JG3 ADN 9.83607
173 4YSW NAI 9.83607
174 4YSW FAD 9.83607
175 1R18 SAH 9.83607
176 2XMY CDK 9.83607
177 6FTB M0E 9.83607
178 2V92 AMP 10.3448
179 2V92 ATP 10.3448
180 1P4A PCP 10.3825
181 1L1Q 9DA 10.3825
182 3E3U NVC 10.3825
183 4OSP NAP 10.3825
184 1G60 SAM 10.3825
185 1LYX PGA 10.929
186 1NU4 MLA 11.3402
187 3VC3 C6P 11.4754
188 1QAN SAH 11.4754
189 1E8G FAD 11.4754
190 1E8G FCR 11.4754
191 5Y6Q FAD 12.0219
192 3FXU TSU 12.0219
193 1UPF URF 12.5683
194 4B2D FBP 12.5683
195 3MBI HSX 13.1148
196 1I8T FAD 13.1148
197 3QTP 2PG 13.1148
198 2PWY SAH 13.6612
199 6H3O FAD 14.2077
200 1J0D 5PA 15.3005
201 3E8N ATP 15.3005
202 3E8N VRA 15.3005
203 6C2Z P1T 15.847
204 6FCH PRP 16.2921
205 2FXV 5GP 16.3934
206 6H39 FGY 16.5354
207 4P83 U5P 18.1319
208 4AT0 FAD 18.5792
209 3NTA FAD 19.6721
210 3NTD FAD 19.6721
211 2PS1 PRP 20.2186
212 2PS1 ORO 20.2186
213 5C79 PBU 21.3333
214 1LH0 PRP 21.8579
215 1LH0 ORO 21.8579
216 5WS9 AMP 21.8579
217 2WE0 UMP 21.8579
218 1T3Q FAD 23.2143
219 3LXD FAD 25.6831
220 4JLS 3ZE 31.5789
221 5LXT ACP 32.8671
222 3LN9 FLC 34.5324
223 4P86 5GP 39.8907
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