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Receptor
PDB id Resolution Class Description Source Keywords
2PS1 1.75 Å EC: 2.4.2.10 S. CEREVISIAE OROTATE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WI ACID AND PRPP SACCHAROMYCES CEREVISIAE ALPHA BETA OPRTASE-OA-PRPP COMPLEX TRANSFERASE
Ref.: TERNARY COMPLEX FORMATION AND INDUCED ASYMMETRY IN PHOSPHORIBOSYLTRANSFERASE. BIOCHEMISTRY V. 46 14075 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
B:402;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
ORO A:500;
B:600;
Valid;
Valid;
none;
none;
submit data
156.096 C5 H4 N2 O4 C1=C(...
PRP A:700;
B:800;
Valid;
Valid;
none;
none;
submit data
390.07 C5 H13 O14 P3 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PS1 1.75 Å EC: 2.4.2.10 S. CEREVISIAE OROTATE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WI ACID AND PRPP SACCHAROMYCES CEREVISIAE ALPHA BETA OPRTASE-OA-PRPP COMPLEX TRANSFERASE
Ref.: TERNARY COMPLEX FORMATION AND INDUCED ASYMMETRY IN PHOSPHORIBOSYLTRANSFERASE. BIOCHEMISTRY V. 46 14075 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2PRZ - OMP C10 H13 N2 O11 P C1=C(N(C(=....
2 2PS1 - ORO C5 H4 N2 O4 C1=C(NC(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2PRZ - OMP C10 H13 N2 O11 P C1=C(N(C(=....
2 2PS1 - ORO C5 H4 N2 O4 C1=C(NC(=O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LH0 - ORO C5 H4 N2 O4 C1=C(NC(=O....
2 1OPR - ORO C5 H4 N2 O4 C1=C(NC(=O....
3 2PRZ - OMP C10 H13 N2 O11 P C1=C(N(C(=....
4 2PS1 - ORO C5 H4 N2 O4 C1=C(NC(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ORO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ORO 1 1
Ligand no: 2; Ligand: PRP; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 PRP 1 1
2 RI2 0.695652 0.975
3 PPC 0.615385 0.930233
4 G16 0.588235 0.883721
5 M6D 0.5 0.880952
6 AHG 0.5 0.904762
7 A6P 0.5 0.880952
8 RP5 0.5 0.975
9 T6P 0.5 0.804348
10 G6P 0.5 0.880952
11 HSX 0.5 0.975
12 M6P 0.5 0.880952
13 ABF 0.5 0.975
14 BGP 0.5 0.880952
15 BG6 0.5 0.880952
16 XYT 0.453125 0.804348
17 GRF 0.45098 0.745098
18 P3M 0.426471 0.804348
19 FDQ 0.425926 0.883721
20 50A 0.415094 0.863636
21 RF5 0.415094 0.863636
22 R1P 0.411765 0.951219
23 GLP 0.410714 0.74
24 4R1 0.410714 0.74
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PS1; Ligand: PRP; Similar sites found with APoc: 121
This union binding pocket(no: 1) in the query (biounit: 2ps1.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1UPF URF None
2 3HVJ 705 None
3 3O5N BR0 None
4 2X2T GAL NGA 1.30719
5 2D2F ADP 1.32743
6 6FCH PRP 1.68539
7 6A56 LAT 1.82927
8 4CUB GAL NAG 2.18579
9 1JG3 ADN 2.21239
10 2Z9I GLY ALA THR VAL 2.21239
11 5AE2 FAD 2.65487
12 5AE2 FYC 2.65487
13 1F0X FAD 2.65487
14 2MBR FAD 2.65487
15 2MBR EPU 2.65487
16 3ACC 5GP 2.76243
17 5GVR LMR 3.09735
18 5MQW GTP 3.09735
19 5MQW ATP 3.09735
20 5UBG PRT 3.09735
21 2P39 SCR 3.22581
22 1RRC ADP 3.53982
23 1OIK AKG 3.53982
24 2WHX ADP 3.53982
25 5CDH TLA 3.53982
26 2UUU FAD 3.53982
27 2UUU PL3 3.53982
28 4A3R CIT 3.53982
29 1J0D 5PA 3.53982
30 3LN9 FLC 3.59712
31 1L1Q 9DA 3.76344
32 3FXU TSU 3.93443
33 4JB1 FAD 3.9823
34 4JB1 NAP 3.9823
35 1SO0 GAL 3.9823
36 2Q4W FAD 3.9823
37 1N4K I3P 3.9823
38 3QDY CBS 4.1958
39 3QDU CBS CBS 4.1958
40 3QDW NDG 4.1958
41 3QDX CBS 4.1958
42 3QDV NDG 4.1958
43 4PPF FLC 4.42478
44 4ZDM GLY 4.42478
45 1QHO MAL 4.42478
46 3AI3 SOL 4.42478
47 4CP8 MLI 4.42478
48 3C3Y SAH 4.42478
49 4QEK GLC 4.42478
50 1DL5 SAH 4.42478
51 1SQL GUN 4.79452
52 1XCL SAH 4.86726
53 4XQC 13D 4.86726
54 4JLZ UTP 4.86726
55 4UYG 73B 5.09554
56 1P1C SAH 5.52764
57 3HRD FAD 5.75221
58 1FFU FAD 5.75221
59 1QB7 ADE 6.19469
60 3OZG SSI 6.19469
61 6AR9 3L4 6.19469
62 1QK3 5GP 6.19469
63 5GZZ GSH 6.63717
64 4RHY 3QG 6.96517
65 1T3Q FAD 7.07965
66 6CAM BGC 7.07965
67 5V49 MET 7.07965
68 3CTY FAD 7.07965
69 1BCJ NGA 7.14286
70 5G5G FAD 7.52212
71 2OG2 MLI 7.52212
72 1XXA ARG 7.69231
73 3QH2 3NM 7.69231
74 4JLS 3ZE 7.89474
75 4Z7X 3CX 7.9646
76 1NU4 MLA 8.24742
77 1BZY IMU 8.29493
78 1OFZ FUL 8.40708
79 4RM0 FUC NAG GAL 8.40708
80 2W5T GP9 8.40708
81 5KVA SAM 8.40708
82 1RM6 FAD 8.69565
83 6BYF CIT 8.82353
84 1E8G FCR 8.84956
85 1E8G FAD 8.84956
86 1VJ7 GPX 8.84956
87 4YNU LGC 8.84956
88 1O5O U5P 9.04977
89 1XTT U5P 9.25926
90 5Y6Q FAD 9.25926
91 3W8X FAD 9.73451
92 3W8X FTK 9.73451
93 5MIT FAD 9.73451
94 5MIT NAP 9.73451
95 2JBH 5GP 9.77778
96 1DQN IMU 10.6195
97 4GYS MLI 10.6195
98 1KNR FAD 10.6195
99 2RDK MAN MAN 11.0092
100 6APV 3L4 11.1111
101 1P19 IMP 11.3122
102 1MZV AMP 11.5044
103 1PZM 5GP 11.8483
104 3GXZ NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 11.8812
105 1N62 FAD 11.9469
106 2PZE ATP 11.9469
107 1YFZ IMP 12.1951
108 2JKY 5GP 12.6761
109 2FXV 5GP 12.8866
110 2XIG CIT 15.3333
111 4WOH 4NP 15.6627
112 3MBI HSX 16.3717
113 5A7C 5D4 16.8142
114 1P4A PCP 19.9115
115 1HGX 5GP 20.2186
116 2X1L MET 21.2389
117 4P86 5GP 21.3115
118 4ZOH FAD 24.3363
119 4P83 U5P 25.2747
120 5VJN ADE 29.4118
121 5VJN IR8 29.4118
Pocket No.: 2; Query (leader) PDB : 2PS1; Ligand: PRP; Similar sites found with APoc: 17
This union binding pocket(no: 2) in the query (biounit: 2ps1.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2X9L BOG 1.76991
2 3BJE R1P 2.21239
3 2BHZ MAL 2.21239
4 5K0A FAD 2.65487
5 2OKL BB2 2.7027
6 1JZN BGC GAL 2.96296
7 5XHA FRU 4.42478
8 4XQC NAD 4.86726
9 5EYW PGA 4.86726
10 1SL6 GAL NDG FUC 5.97826
11 3K0T BGC 6.29371
12 1IXI 2HP 7.52212
13 5X2N ALA 7.9646
14 5H20 GLC 8.10811
15 6AYU MLI 9.73451
16 4ZM4 PLP 10.177
17 3QTP 2PG 19.0265
Pocket No.: 3; Query (leader) PDB : 2PS1; Ligand: ORO; Similar sites found with APoc: 245
This union binding pocket(no: 3) in the query (biounit: 2ps1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3HVJ 705 None
2 1UPF URF None
3 5NUL FMN None
4 2X2T GAL NGA 1.30719
5 4RFM 3P6 1.32743
6 2D2F ADP 1.32743
7 4HEQ FMN 1.36986
8 6FCH PRP 1.68539
9 3WR7 COA 1.76471
10 1JQ3 AAT 1.76991
11 4KCT FDP 1.76991
12 1QNF FAD 1.76991
13 1B1C FMN 2.20994
14 1JG3 ADN 2.21239
15 1I9G SAM 2.21239
16 3FJO FMN 2.21239
17 2BHZ MAL 2.21239
18 5AE2 FAD 2.65487
19 5AE2 FYC 2.65487
20 1F0X FAD 2.65487
21 2MBR EPU 2.65487
22 2MBR FAD 2.65487
23 1R18 SAH 2.65487
24 2PWY SAH 2.65487
25 3VC3 C6P 2.65487
26 2I0K FAD 2.65487
27 5UAO FAD 2.65487
28 2JJK R15 2.65487
29 1G55 SAH 2.65487
30 3ACC 5GP 2.76243
31 1T57 FMN 2.91262
32 1JZN BGC GAL 2.96296
33 5UBG PRT 3.09735
34 5GVR LMR 3.09735
35 4QYS PLP SEP 3.09735
36 5MQW ATP 3.09735
37 5MQW GTP 3.09735
38 6FDF SAH 3.09735
39 3Q9T FAY 3.09735
40 1DJN ADP 3.09735
41 4QYS PLR 3.09735
42 2ZIF SAM 3.09735
43 2P39 SCR 3.22581
44 2PEZ GGZ 3.35196
45 2PEZ DAT 3.35196
46 1J0D 5PA 3.53982
47 2UUU PL3 3.53982
48 2UUU FAD 3.53982
49 3GRU AMP 3.53982
50 3VYW SAM 3.53982
51 5OC1 FAD 3.53982
52 1RRC ADP 3.53982
53 5MW4 5JU 3.53982
54 1Q0S SAH 3.53982
55 4IP7 FBP 3.53982
56 4Z24 FAD 3.53982
57 2DPM SAM 3.53982
58 4YMH SAH 3.53982
59 3SSO SAH 3.53982
60 1VA6 P2S 3.53982
61 1VA6 ADP 3.53982
62 2WHX ADP 3.53982
63 4A3R CIT 3.53982
64 5N5D SAM 3.53982
65 4WNK 453 3.53982
66 1OIK AKG 3.53982
67 3LN9 FLC 3.59712
68 3OU2 SAH 3.66972
69 4P8K 38C 3.75
70 4P8K FAD 3.75
71 1L1Q 9DA 3.76344
72 3FXU TSU 3.93443
73 2Q4W FAD 3.9823
74 4JB1 FAD 3.9823
75 4JB1 NAP 3.9823
76 2V3V MGD 3.9823
77 1V97 FAD 3.9823
78 4NTD FAD 3.9823
79 2YG3 FAD 3.9823
80 4GYW UDP 3.9823
81 1SO0 GAL 3.9823
82 3C6K MTA 3.9823
83 3C6K SPD 3.9823
84 3NRR UMP 3.9823
85 3NRR D16 3.9823
86 4POO SAM 4
87 4GUT FAD 4.03226
88 4HSU FAD 4.03226
89 1U1B PAX 4.03226
90 6EDV COA 4.12371
91 1V2G OCA 4.21053
92 1U3G THF 4.2328
93 3THR C2F 4.42478
94 1DL5 SAH 4.42478
95 5WS9 AMP 4.42478
96 3PPM JG1 4.42478
97 3C3Y SAH 4.42478
98 4ZAH T5K 4.42478
99 4PPF FLC 4.42478
100 4CP8 MLI 4.42478
101 1QZR ANP 4.42478
102 1QHO MAL 4.42478
103 5XHA FRU 4.42478
104 4QEK GLC 4.42478
105 4ZDM GLY 4.42478
106 1G60 SAM 4.42478
107 5X1M DHB 4.42478
108 5X1M THG 4.42478
109 1XCL SAH 4.86726
110 2GQT FAD 4.86726
111 4B2D FBP 4.86726
112 3TLJ SAH 4.86726
113 5THY SAH 4.86726
114 1ZXM ANP 4.86726
115 3QF7 ANP 4.86726
116 3PT9 SAH 4.86726
117 4IV9 TSR 4.86726
118 5IDM ANP 5.02793
119 4R57 ACO 5.11364
120 1L3I SAH 5.20833
121 1I1N SAH 5.30973
122 3GDH SAH 5.30973
123 1P1C SAH 5.52764
124 3HRD FAD 5.75221
125 1FFU FAD 5.75221
126 1I8T FAD 5.75221
127 5AA4 6X4 5.75221
128 1Q1R FAD 5.75221
129 5ULP KB1 5.75221
130 5G4L NDP 5.75221
131 1BVY FMN 5.75916
132 1SL6 GAL NDG FUC 5.97826
133 4X8O AP5 6.07477
134 1QB7 ADE 6.19469
135 1QK3 5GP 6.19469
136 3OZG SSI 6.19469
137 6AR9 3L4 6.19469
138 3S1S SAH 6.19469
139 3NTA FAD 6.19469
140 3HQP FDP 6.19469
141 2OFW ADX 6.25
142 3MB5 SAM 6.63717
143 5GZZ GSH 6.63717
144 4TXI FAD 6.63717
145 6C2Z P1T 6.63717
146 3LL5 ADP 6.63717
147 4RHY 3QG 6.96517
148 1T3Q FAD 7.07965
149 1HSK FAD 7.07965
150 6CAM BGC 7.07965
151 1WG8 SAM 7.07965
152 4Z87 GDP 7.07965
153 5V49 8WA 7.07965
154 5V49 MET 7.07965
155 1T3Q MCN 7.07965
156 1BCJ NGA 7.14286
157 1NM5 NAP 7.38916
158 5G5G FAD 7.52212
159 5EB4 FAD 7.52212
160 2RAB FAD 7.52212
161 2OG2 MLI 7.52212
162 1XXA ARG 7.69231
163 3QH2 3NM 7.69231
164 4JLS 3ZE 7.89474
165 2XNJ NAP 7.9646
166 3LAD FAD 7.9646
167 5X2N ALA 7.9646
168 1NU4 MLA 8.24742
169 1BZY IMU 8.29493
170 1PNO NAP 8.33333
171 5KVA SAM 8.40708
172 3ZEI AWH 8.40708
173 1D6S PLP MET 8.40708
174 1D6S MET PLP 8.40708
175 1V7C HEY 8.40708
176 3TKA SAM 8.40708
177 1PN0 IPH 8.40708
178 1PN0 FAD 8.40708
179 4D9M 0JO 8.40708
180 5JWC FAD 8.40708
181 1RM6 FAD 8.69565
182 6BYF CIT 8.82353
183 1E8G FAD 8.84956
184 1E8G FCR 8.84956
185 6CUZ FEV 8.84956
186 3DR4 G4M 8.84956
187 1O5O U5P 9.04977
188 5Y6Q FAD 9.25926
189 1XTT U5P 9.25926
190 5ERG SAM 9.29204
191 3W8X FAD 9.73451
192 3W8X FTK 9.73451
193 4AUT FAD 9.73451
194 1N2X SAM 9.73451
195 2JLR ANP 9.73451
196 2JBH 5GP 9.77778
197 1DQN IMU 10.6195
198 4GYS MLI 10.6195
199 1WY7 SAH 10.628
200 2ZW5 COA 11.0619
201 6APV 3L4 11.1111
202 3DUW SAH 11.2108
203 1P19 IMP 11.3122
204 1MZV AMP 11.5044
205 2WA2 SAM 11.5044
206 1PZM 5GP 11.8483
207 1N62 FAD 11.9469
208 3NRZ FAD 11.9469
209 5XET ME8 11.9469
210 1FIQ FAD 11.9469
211 2CVQ NDP 11.9469
212 2PZE ATP 11.9469
213 2HNK SAH 12.3894
214 4UCI SAM 12.3894
215 5D85 P1T 12.3894
216 2JKY 5GP 12.6761
217 4H2D FMN 12.7273
218 2FXV 5GP 12.8866
219 3GDN FAD 13.2743
220 3GDN HBX 13.2743
221 4WOH 4NP 15.6627
222 1R4A GNP 15.7576
223 3MBI HSX 16.3717
224 1PFY MSP 16.3717
225 4YSW NAI 17.2566
226 4YSW FAD 17.2566
227 4M37 SAH 18.1416
228 4M38 SAH 18.1416
229 5DI9 GNP 18.5841
230 5UWS GNP 18.5841
231 5UWP GNP 18.5841
232 4HAT GNP 19.4444
233 1P4A PCP 19.9115
234 1QAN SAH 19.9115
235 2DKH 3HB 19.9115
236 1HGX 5GP 20.2186
237 2X1L MET 21.2389
238 4P86 5GP 21.3115
239 1WA5 GTP 23.8636
240 6AMI TRP 23.8938
241 6AM8 PLT 23.8938
242 4ZOH FAD 24.3363
243 4P83 U5P 25.2747
244 5VJN ADE 29.4118
245 5VJN IR8 29.4118
Pocket No.: 4; Query (leader) PDB : 2PS1; Ligand: ORO; Similar sites found with APoc: 24
This union binding pocket(no: 4) in the query (biounit: 2ps1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2Z9I GLY ALA THR VAL 2.21239
2 1GET NAP 2.65487
3 1GET FAD 2.65487
4 1YKJ PHB 2.65487
5 1YKJ FAD 2.65487
6 2BNF UTP 2.65487
7 6EJI UD2 2.65487
8 1O94 ADP 3.09735
9 6ESN BWE 3.9823
10 1COY FAD 3.9823
11 5BVE 4VG 3.9823
12 1OBV FMN 4.14201
13 6F97 FAD 4.86726
14 1T8U UAP SGN IDS SGN 4.86726
15 5H68 AGS 5.75221
16 1GZ4 ATP 6.19469
17 2BRY FAD 6.63717
18 4LHW GNP 7.47126
19 3KP6 SAL 7.94702
20 1B4B ARG 8.4507
21 3WYG GTP 8.79121
22 4KVX ACO 8.97436
23 4OPC FDA 9.29204
24 3A4T SFG 9.73451
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