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 (17)
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 5JSQ Ki = 21.3 uM 6MS C11 H18 N5 O4 P c1nc2c(n1C....
4 4RHY Ki = 1.13 uM 3QG C15 H29 N6 O10 P3 c1nc2c(n1C....
5 4RHX Ki = 1.6 uM 3QF C15 H27 N7 O8 P2 c1nc2c(n1C....
6 1HGX - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
7 1I0L - PRP C5 H13 O14 P3 C([C@@H]1[....
8 1TC2 - PRP C5 H13 O14 P3 C([C@@H]1[....
9 1I0I - PRP C5 H13 O14 P3 C([C@@H]1[....
10 1P19 Kd = 76.8 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
11 1P18 - PRP C5 H13 O14 P3 C([C@@H]1[....
12 1TC1 ic50 > 2 mM FMB C10 H12 N4 O5 C1=Nc2c(n[....
13 1I14 - PRP C5 H13 O14 P3 C([C@@H]1[....
14 1I13 - PRP C5 H13 O14 P3 C([C@@H]1[....
15 3ACD - IMP C10 H13 N4 O8 P c1nc2c(n1[....
16 3ACC - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
17 1YFZ Ki = 45 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5GP; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 5GP 1 1
2 G 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 GCP 0.765432 0.960526
11 G1R 0.765432 0.973333
12 GDP MG 0.7625 0.935065
13 GAV 0.759036 0.948052
14 GSP 0.756098 0.935897
15 GNP 0.756098 0.960526
16 GDP BEF 0.753086 0.911392
17 ALF 5GP 0.753086 0.9
18 GMP 0.732394 0.866667
19 GTP MG 0.72619 0.935065
20 BEF GDP 0.72619 0.9
21 GPG 0.724138 0.948052
22 GCP G 0.717647 0.947368
23 G2R 0.712644 0.948052
24 GDP AF3 0.701149 0.9
25 GDP ALF 0.701149 0.9
26 Y9Z 0.692308 0.890244
27 GDC 0.692308 0.948052
28 GKE 0.692308 0.948052
29 GDD 0.692308 0.948052
30 YGP 0.681319 0.9125
31 G G 0.677778 0.947368
32 G3A 0.677419 0.960526
33 G5P 0.670213 0.960526
34 GFB 0.666667 0.948052
35 GDR 0.666667 0.948052
36 GTG 0.666667 0.924051
37 6CK 0.659574 0.924051
38 3GP 0.65 0.959459
39 GKD 0.645833 0.948052
40 JB2 0.645833 0.948052
41 GPD 0.639175 0.9125
42 GDX 0.639175 0.960526
43 GDP 7MG 0.635417 0.923077
44 G3D 0.617977 0.972973
45 U2G 0.617647 0.924051
46 IMP 0.609756 0.972603
47 2GP 0.609756 0.946667
48 JB3 0.607843 0.935897
49 CG2 0.605769 0.924051
50 G4P 0.604396 0.972973
51 DGP 0.60241 0.922078
52 DG 0.60241 0.922078
53 FEG 0.601942 0.890244
54 NGD 0.601942 0.948052
55 ZGP 0.596154 0.879518
56 0O2 0.595745 0.972973
57 2MD 0.584906 0.879518
58 G7M 0.583333 0.960526
59 CAG 0.583333 0.869048
60 G A A A 0.579439 0.935065
61 U A G G 0.574074 0.947368
62 MGD 0.568807 0.879518
63 DBG 0.566372 0.935897
64 PGD 0.5625 0.9125
65 MD1 0.5625 0.879518
66 P2G 0.55814 0.894737
67 FE9 0.553571 0.784946
68 I2C FE2 CMO CMO 0.54955 0.818182
69 P1G 0.545455 0.883117
70 GH3 0.542553 0.96
71 TPG 0.53913 0.829545
72 GPX 0.53125 0.933333
73 DGI 0.527473 0.910256
74 G1R G1R 0.525862 0.911392
75 PGD O 0.521368 0.83908
76 DGT 0.521277 0.910256
77 G4M 0.520325 0.869048
78 G G U 0.519231 0.947368
79 G C 0.513514 0.911392
80 93A 0.511364 0.821429
81 IDP 0.505495 0.959459
82 MGQ 0.505155 0.948052
83 C2R 0.5 0.893333
84 BGO 0.5 0.911392
85 AMP 0.5 0.905405
86 AMZ 0.5 0.905405
87 A 0.5 0.905405
88 AIR 0.493671 0.890411
89 MGV 0.49 0.901235
90 SGP 0.488889 0.8375
91 U G A 0.488189 0.9
92 NIA 0.488095 0.8375
93 GPC 0.474138 0.890244
94 G G G RPC 0.473684 0.886076
95 GGM 0.473684 0.888889
96 71V 0.47191 0.85
97 APC G U 0.470085 0.897436
98 MGP 0.46875 0.948052
99 C2E 0.468085 0.933333
100 35G 0.468085 0.945946
101 PCG 0.468085 0.945946
102 G1G 0.466102 0.9125
103 7RA 0.465909 0.918919
104 AAM 0.465909 0.905405
105 RMB 0.465909 0.813333
106 FAI 0.465909 0.905405
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 P2P 0.433333 0.842105
124 JLN 0.433333 0.88
125 XMP 0.428571 0.907895
126 PGS 0.425532 0.804878
127 RVP 0.423529 0.84
128 G2Q 0.423077 0.948052
129 ADP 0.419355 0.906667
130 A2D 0.417582 0.881579
131 ABM 0.417582 0.857143
132 GUO 0.415842 0.932432
133 CA0 0.410526 0.883117
134 2SA 0.41 0.871795
135 1YD 0.409091 0.933333
136 4BW 0.409091 0.933333
137 AP2 0.408602 0.871795
138 A12 0.408602 0.871795
139 BA3 0.408602 0.881579
140 6C6 0.408163 0.825
141 25A 0.407767 0.906667
142 NOS 0.406977 0.813333
143 AMP MG 0.406593 0.833333
144 ATP 0.40625 0.906667
145 AP5 0.404255 0.881579
146 B4P 0.404255 0.881579
147 6IA 0.40404 0.785714
148 ACQ 0.40404 0.883117
149 ANP 0.40404 0.883117
150 CGP 0.403361 0.878049
151 3ZE 0.402062 0.871795
152 APC 0.402062 0.871795
153 5FA 0.402062 0.906667
154 AQP 0.402062 0.906667
155 N6P 0.4 0.853333
156 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: 155
This union binding pocket(no: 1) in the query (biounit: 1hgx.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1I9G SAM 0.004236 0.4385 None
2 4YEF 4CQ 0.01733 0.42028 None
3 1D6S PLP MET 0.002091 0.45567 1.5528
4 1D6S MET PLP 0.002525 0.4533 1.5528
5 1P1C SAH 0.004485 0.44069 1.63934
6 1AG9 FMN 0.01979 0.40147 1.71429
7 4POO SAM 0.002668 0.45375 2.18579
8 1WG8 SAM 0.02336 0.4058 2.18579
9 1V97 FAD 0.03264 0.42676 2.73224
10 2XK9 XK9 0.01766 0.42323 2.73224
11 3RNM FAD 0.0396 0.4128 2.73224
12 3PC3 P1T 0.01399 0.41247 2.73224
13 2Q4W FAD 0.003519 0.46009 3.27869
14 1I1N SAH 0.005236 0.44335 3.27869
15 3C3Y SAH 0.003363 0.44165 3.27869
16 4ZAH T5K 0.01412 0.42116 3.27869
17 3CGB FAD 0.02589 0.41747 3.27869
18 2DPM SAM 0.0159 0.41129 3.27869
19 2F5Z FAD 0.04362 0.41049 3.27869
20 5H2U 1N1 0.01244 0.40556 3.27869
21 3EKK GS2 0.0441 0.40312 3.27869
22 1Q0S SAH 0.0273 0.40232 3.27869
23 3S1S SAH 0.001115 0.47121 3.82514
24 3HVJ 705 0.005631 0.45271 3.82514
25 5EB4 FAD 0.007341 0.44965 3.82514
26 4OYA 1VE 0.02306 0.4371 3.82514
27 3WVR AMP 0.004305 0.42802 3.82514
28 4KCT FDP 0.006363 0.41745 3.82514
29 5DX1 SFG 0.01972 0.41098 3.82514
30 2GOU FMN 0.03366 0.40734 3.82514
31 4IP7 FBP 0.01548 0.40299 3.82514
32 4SGA ACE PRO ALA PRO PHE 0.01149 0.40724 3.8674
33 1PNO NAP 0.02625 0.40967 3.88889
34 1QB7 ADE 0.000001292 0.59178 4.37158
35 1XCL SAH 0.003386 0.45849 4.37158
36 1T57 FMN 0.002944 0.4482 4.37158
37 2RAB FAD 0.02099 0.42865 4.37158
38 2RAB NAD 0.03583 0.42865 4.37158
39 4P8K 38C 0.03075 0.42344 4.37158
40 4P5Z Q7M 0.02857 0.41421 4.37158
41 1N4W FAD 0.04282 0.41093 4.37158
42 1NW5 SAM 0.01447 0.41003 4.37158
43 1RHC F42 ACN 0.03521 0.40297 4.37158
44 1XTT U5P 0.00003703 0.53119 4.91803
45 3MB5 SAM 0.0008374 0.47748 4.91803
46 2GQT FAD 0.02437 0.43046 4.91803
47 4D04 FAD 0.03161 0.43 4.91803
48 4D04 NAP 0.03161 0.43 4.91803
49 4I54 1C1 0.01145 0.42845 4.91803
50 5MW4 5JU 0.03233 0.41505 4.91803
51 2DKH FAD 0.0263 0.41302 4.91803
52 3WGT FAD 0.04916 0.4107 4.91803
53 1P0F NAP 0.03478 0.40551 4.91803
54 3HQP FDP 0.00586 0.41673 5.46448
55 4X9M FAD 0.02537 0.42074 5.50239
56 5THY SAH 0.01834 0.40655 5.67901
57 1CZR FMN 0.01544 0.40685 5.91716
58 5MZI FAD 0.03308 0.42706 6.01093
59 5MZI FYK 0.03393 0.42706 6.01093
60 1WY7 SAH 0.01329 0.41524 6.01093
61 4D42 W0I 0.04875 0.41234 6.01093
62 4D42 NAP 0.04875 0.41234 6.01093
63 3F81 STT 0.007243 0.41048 6.01093
64 4PW9 MSS 0.01629 0.40915 6.01093
65 1UJ2 ADP 0.027 0.40395 6.01093
66 3H4V NAP 0.03737 0.40161 6.01093
67 5K9B FMN 0.01951 0.40179 6.11111
68 1I1D 16G 0.01617 0.42186 6.21118
69 1MZV AMP 0.000001089 0.59533 6.55738
70 4NAE 1GP 0.003953 0.43117 6.55738
71 1DQX BMP 0.01043 0.41888 6.55738
72 1COY AND 0.04732 0.41705 6.55738
73 1COY FAD 0.03082 0.41705 6.55738
74 1N62 FAD 0.004381 0.45956 6.62651
75 1ECC PCP 0.00004425 0.54188 7.10383
76 3ZEI AWH 0.002323 0.46294 7.10383
77 1FIQ FAD 0.008941 0.43882 7.10383
78 1DL5 SAH 0.009873 0.4278 7.10383
79 3VYW SAM 0.008022 0.42461 7.10383
80 3B8X G4M 0.01792 0.4229 7.10383
81 1NAA 6FA 0.03671 0.4154 7.10383
82 3QH2 3NM 0.004002 0.4149 7.10383
83 2ZXI FAD 0.0303 0.41381 7.10383
84 2UUU FAD 0.04867 0.41238 7.10383
85 1V7C HEY 0.02158 0.41163 7.10383
86 2HNK SAH 0.01489 0.41112 7.10383
87 3HRD FAD 0.004727 0.46085 7.5
88 1FFU FAD 0.001559 0.48106 7.65027
89 3CIF G3H 0.009356 0.43889 7.65027
90 2X3N FAD 0.0268 0.41667 7.65027
91 3TKA SAM 0.01791 0.40707 7.65027
92 4C2V YJA 0.03392 0.40382 7.65027
93 1O5O U5P 0.00001363 0.54619 8.19672
94 3GDN HBX 0.02452 0.4296 8.19672
95 5HSA FAS 0.0383 0.41192 8.19672
96 3GDN FAD 0.0476 0.4076 8.19672
97 1N2X SAM 0.02192 0.40576 8.19672
98 5KVA SAM 0.001742 0.45966 8.27338
99 5AE2 FAD 0.01703 0.44921 8.74317
100 5AE2 FYC 0.01703 0.44921 8.74317
101 5G5G FAD 0.005351 0.45796 9.28962
102 4DSG FAD 0.02787 0.43308 9.28962
103 1YC5 NCA 0.01358 0.42204 9.28962
104 4M37 SAH 0.01054 0.41692 9.28962
105 4BUZ OCZ 0.02648 0.41063 9.28962
106 4BUZ OAD 0.02648 0.41063 9.28962
107 4BUZ NAD 0.02256 0.41063 9.28962
108 2J4D FAD 0.02725 0.40637 9.28962
109 3GRU AMP 0.02653 0.40152 9.28962
110 3W8X FAD 0.0006547 0.50993 9.82906
111 1JG3 ADN 0.0009112 0.48387 9.83607
112 4YSW NAI 0.01586 0.44359 9.83607
113 4YSW FAD 0.01762 0.44105 9.83607
114 1R18 SAH 0.006436 0.43112 9.83607
115 2XMY CDK 0.03859 0.42451 9.83607
116 1L1Q 9DA 0.0000005643 0.62928 10.3825
117 1P4A PCP 0.00005511 0.45064 10.3825
118 5BVE 4VG 0.0435 0.41974 10.3825
119 4OSP NAP 0.02344 0.41102 10.3825
120 1G60 SAM 0.0222 0.40072 10.3825
121 2V3A FAD 0.03344 0.41245 10.929
122 2V3B FAD 0.03799 0.40853 10.929
123 1LYX PGA 0.01244 0.40557 10.929
124 3VC3 C6P 0.003617 0.44863 11.4754
125 1QAN SAH 0.004041 0.44128 11.4754
126 1E8G FAD 0.0208 0.42717 11.4754
127 1E8G FCR 0.02003 0.42717 11.4754
128 1UPF URF 0.00007099 0.4206 12.5683
129 4B2D FBP 0.01064 0.41099 12.5683
130 3MBI HSX 0.000005063 0.55964 13.1148
131 3QTP 2PG 0.01063 0.40178 13.1148
132 2PWY SAH 0.003918 0.44366 13.6612
133 4ONC 40B 0.02655 0.40696 14.7541
134 2X4Z X4Z 0.04202 0.40221 14.7541
135 1J0D 5PA 0.005813 0.43959 15.3005
136 3E8N ATP 0.03319 0.41616 15.3005
137 3E8N VRA 0.03319 0.41616 15.3005
138 5K8V 6RE 0.03358 0.42411 15.847
139 1ZN7 PRP 0.0000002082 0.64772 16.1111
140 1ZN7 ADE 0.00000009343 0.64638 16.1111
141 1ZN7 HSX 0.00000009343 0.64638 16.1111
142 2FXV 5GP 0.0000133 0.56822 16.3934
143 4P83 U5P 0.00000007013 0.62722 18.1319
144 4AT0 FAD 0.02529 0.42663 18.5792
145 3NTD FAD 0.02782 0.41675 19.6721
146 2PS1 PRP 0.000002891 0.59402 20.2186
147 2PS1 ORO 0.000001777 0.58124 20.2186
148 5C79 PBU 0.01598 0.40109 21.3333
149 1LH0 ORO 0.00001467 0.55082 21.8579
150 1LH0 PRP 0.0001172 0.53453 21.8579
151 2WE0 UMP 0.005917 0.41652 21.8579
152 1T3Q FAD 0.002772 0.46901 23.2143
153 3LXD FAD 0.02113 0.42017 25.6831
154 4JLS 3ZE 0.0000007032 0.57378 31.5789
155 3LN9 FLC 0.00002837 0.41402 34.5324
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