Receptor
PDB id Resolution Class Description Source Keywords
1O8B 1.25 Å EC: 5.3.1.6 STRUCTURE OF ESCHERICHIA COLI RIBOSE-5-PHOSPHATE ISOMERASE, RPIA, COMPLEXED WITH ARABINOSE-5-PHOSPHATE. ESCHERICHIA COLI ISOMERASE RIBOSE PHOSPHATE ISOMERASE RPIA PSI PROTEIN STINITIATIVE MCSG MIDWEST CENTER FOR STRUCTURAL GENOMICS
Ref.: STRUCTURE OF ESCHERICHIA COLI RIBOSE-5-PHOSPHATE IS A UBIQUITOUS ENZYME OF THE PENTOSE PHOSPHATE PATHWA THE CALVIN CYCLE STRUCTURE V. 11 31 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ABF A:1269;
B:1269;
Valid;
Valid;
none;
none;
Ki = 2.1 mM
230.11 C5 H11 O8 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O8B 1.25 Å EC: 5.3.1.6 STRUCTURE OF ESCHERICHIA COLI RIBOSE-5-PHOSPHATE ISOMERASE, RPIA, COMPLEXED WITH ARABINOSE-5-PHOSPHATE. ESCHERICHIA COLI ISOMERASE RIBOSE PHOSPHATE ISOMERASE RPIA PSI PROTEIN STINITIATIVE MCSG MIDWEST CENTER FOR STRUCTURAL GENOMICS
Ref.: STRUCTURE OF ESCHERICHIA COLI RIBOSE-5-PHOSPHATE IS A UBIQUITOUS ENZYME OF THE PENTOSE PHOSPHATE PATHWA THE CALVIN CYCLE STRUCTURE V. 11 31 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1O8B Ki = 2.1 mM ABF C5 H11 O8 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1O8B Ki = 2.1 mM ABF C5 H11 O8 P C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1O8B Ki = 2.1 mM ABF C5 H11 O8 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ABF; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 RP5 1 1
2 HSX 1 1
3 ABF 1 1
4 BGP 0.8 0.902439
5 M6D 0.8 0.902439
6 BG6 0.8 0.902439
7 A6P 0.8 0.902439
8 G6P 0.8 0.902439
9 M6P 0.8 0.902439
10 AHG 0.676471 0.880952
11 4R1 0.634146 0.755102
12 GLP 0.634146 0.755102
13 50A 0.615385 0.883721
14 RF5 0.615385 0.883721
15 GRF 0.589744 0.76
16 NNG 0.565217 0.685185
17 4QY 0.553191 0.685185
18 16G 0.553191 0.685185
19 BMX 0.553191 0.685185
20 FDQ 0.547619 0.860465
21 D6G 0.5 0.860465
22 G16 0.5 0.860465
23 PRP 0.5 0.975
24 1FT 0.490909 0.770833
25 N 0.47619 0.860465
26 PPC 0.469388 0.906977
27 T6P 0.469388 0.822222
28 32O 0.441176 0.675
29 RIB 0.441176 0.675
30 Z6J 0.441176 0.675
31 FUB 0.441176 0.675
32 AHR 0.441176 0.675
33 P3M 0.440678 0.822222
34 IRN 0.425926 0.606557
35 FGR 0.410714 0.655172
36 AHR AHR 0.404255 0.690476
37 TA6 0.404255 0.906977
38 F6P 0.404255 0.906977
39 FUB AHR 0.404255 0.690476
40 BNX 0.4 0.880952
41 ALX 0.4 0.880952
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O8B; Ligand: ABF; Similar sites found: 242
This union binding pocket(no: 1) in the query (biounit: 1o8b.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Z06 GNP 0.02785 0.40044 1.0582
2 4X9M FAD 0.01175 0.43871 1.36986
3 1U2Z SAH 0.02147 0.40621 1.36986
4 1IY8 NAD 0.0177 0.41981 1.82648
5 2EW1 GNP 0.02157 0.40459 1.99005
6 1VL1 CIT 0.0005307 0.43105 2.28311
7 5T2U NAP 0.02076 0.41844 2.28311
8 4YNU FAD 0.03338 0.41767 2.28311
9 4YNU LGC 0.03794 0.41767 2.28311
10 2RGO FAD 0.02785 0.41578 2.28311
11 3GDN HBX 0.04824 0.41329 2.28311
12 3GDN FAD 0.03747 0.41329 2.28311
13 4MP8 NAD 0.04981 0.40217 2.28311
14 4M9Q GNP 0.02359 0.40104 2.28311
15 2BME GNP 0.01908 0.41029 2.68817
16 2E5V FAD 0.01326 0.43861 2.73973
17 5DN9 NAD 0.01377 0.42784 2.73973
18 1DXY NAD 0.01198 0.42348 2.73973
19 1OMO NAD 0.0124 0.41985 2.73973
20 1Q0H FOM 0.03922 0.41462 2.73973
21 1Q0H NDP 0.04178 0.41462 2.73973
22 3ETG GTP 0.04329 0.41147 2.73973
23 2GSD NAD 0.03125 0.41112 2.73973
24 2JJK R15 0.04696 0.40873 2.73973
25 3GGO ENO 0.04425 0.4085 2.73973
26 3GGO NAI 0.04425 0.4085 2.73973
27 3ZBQ GDP 0.01563 0.40836 2.73973
28 2IXE ATP 0.01777 0.40724 2.73973
29 4XB2 HSE 0.03261 0.40699 2.73973
30 4XB2 NDP 0.02073 0.40699 2.73973
31 1ORR NAD 0.03667 0.40536 2.73973
32 2O4C NAD 0.03749 0.40267 2.73973
33 2DT5 NAD 0.03268 0.40349 2.8436
34 1ZUI SKM 0.02952 0.41142 2.97619
35 4N8I COA 0.0003957 0.49926 3.19635
36 2BKX F6R 0.0007246 0.46561 3.19635
37 2RI1 GLP 0.0001764 0.45281 3.19635
38 2Z3Y F2N 0.01137 0.44222 3.19635
39 1J49 NAD 0.007071 0.438 3.19635
40 1GPE FAD 0.0201 0.4305 3.19635
41 3QJ4 FAD 0.02046 0.4239 3.19635
42 1NPD NAD 0.01353 0.41792 3.19635
43 1RM4 NDP 0.02512 0.40821 3.19635
44 4TSK NDP 0.02384 0.40809 3.19635
45 1VI2 NAD 0.01855 0.40791 3.19635
46 4CNK FAD 0.04298 0.40656 3.19635
47 2WOX NDP 0.03762 0.40581 3.19635
48 1REO FAD 0.04702 0.40534 3.19635
49 1Z45 NAD 0.03178 0.40531 3.19635
50 1ZXM ANP 0.02724 0.40509 3.19635
51 4LH0 GLV 0.04474 0.40375 3.19635
52 4BVA NDP 0.03668 0.40317 3.19635
53 1WPY BTN 0.03315 0.40066 3.19635
54 4WP9 ZDA 0.04124 0.41101 3.38983
55 2A5F GTP 0.01446 0.41495 3.62694
56 1YS4 NAP 0.00262 0.45075 3.65297
57 1L2T ATP 0.006048 0.43413 3.65297
58 2I3G NAP 0.01406 0.42502 3.65297
59 2GZ3 NAP 0.03075 0.42271 3.65297
60 1NVT NAP 0.01416 0.4169 3.65297
61 4YAG NAI 0.03313 0.4162 3.65297
62 4JNE ATP 0.01483 0.41589 3.65297
63 1D4D FAD 0.03502 0.41572 3.65297
64 4YRY NAD 0.04885 0.41434 3.65297
65 4YRY FAD 0.03585 0.41434 3.65297
66 4ZG4 VO4 ADP 0.0139 0.41425 3.65297
67 4K28 NAD 0.01741 0.41376 3.65297
68 5UWS GNP 0.01957 0.41251 3.65297
69 3WYG GTP 0.0237 0.40822 3.65297
70 5UWP GNP 0.02388 0.40805 3.65297
71 5DI9 GNP 0.02388 0.40805 3.65297
72 5UWW GNP 0.02299 0.40755 3.65297
73 2EXX NAP 0.03566 0.40705 3.65297
74 5UWR GNP 0.02482 0.40584 3.65297
75 4HAT GNP 0.02708 0.40522 3.65297
76 1WA5 GTP 0.03512 0.40303 3.65297
77 1SVK ALF GDP 0.03354 0.40289 3.65297
78 1KYQ NAD 0.01726 0.4026 3.65297
79 1XHC FAD 0.04915 0.40155 3.65297
80 1YNQ NDP 0.03317 0.40065 3.65297
81 3ZS9 ADP ALF 0.0318 0.40028 3.65297
82 3BXF FBP 0.0002412 0.49854 3.92157
83 3BXF 13P 0.0003335 0.487 3.92157
84 4LX0 BEF GDP 0.01975 0.41095 3.9548
85 4D0G GTP 0.0131 0.41391 4
86 3TKL GTP 0.01888 0.40905 4.08163
87 1CF2 NAP 0.005569 0.44055 4.10959
88 5J7X FAD 0.01536 0.43056 4.10959
89 4EU7 COA 0.01993 0.42354 4.10959
90 4EU7 CIT 0.02078 0.42354 4.10959
91 1O6Z NAD 0.01054 0.42344 4.10959
92 4DPL NAP 0.01508 0.42223 4.10959
93 1N4W FAD 0.02723 0.42167 4.10959
94 2DBZ NAP 0.01601 0.41963 4.10959
95 3K7M FAD 0.0394 0.41957 4.10959
96 5N2I NAP 0.01045 0.41883 4.10959
97 2F1K NAP 0.02323 0.40732 4.10959
98 4NBU NAI 0.03086 0.40714 4.10959
99 4RJK TPP 0.02899 0.40497 4.10959
100 3FVQ ATP 0.01937 0.40369 4.10959
101 1I36 NAP 0.02606 0.40192 4.10959
102 5LAU AR6 0.01923 0.41012 4.32692
103 5I39 FAD 0.009122 0.44263 4.56621
104 2XVF FAD 0.01864 0.42509 4.56621
105 4YCA NDP 0.01121 0.42497 4.56621
106 2CUL FAD 0.01874 0.42294 4.56621
107 5UAO FAD 0.03169 0.41552 4.56621
108 2WET FAD 0.03878 0.41247 4.56621
109 4K26 SFF 0.03715 0.4109 4.56621
110 4KQW NAP 0.04794 0.40018 4.56621
111 3MJE NDP 0.03824 0.40108 4.6371
112 1UPT GTP 0.007603 0.424 4.67836
113 1R4A GNP 0.01514 0.41393 4.84848
114 4FWE FAD 0.01024 0.44468 5.02283
115 4GUT FAD 0.0136 0.44055 5.02283
116 4GUS FAD 0.01301 0.43993 5.02283
117 4OOE NDP 0.0393 0.43058 5.02283
118 4OOE FOM 0.0393 0.43058 5.02283
119 2AQJ FAD 0.04197 0.42124 5.02283
120 1SC6 NAD 0.0197 0.41852 5.02283
121 2NVK FAD 0.04005 0.41086 5.02283
122 1Z82 NDP 0.02584 0.40757 5.02283
123 4HXY NDP 0.04168 0.40133 5.02283
124 1NE7 AGP 0.001655 0.4482 5.47945
125 2XVE FAD 0.03539 0.42603 5.47945
126 5TTJ FAD 0.025 0.42017 5.47945
127 5AYV NAP 0.01144 0.4201 5.47945
128 1ZEM NAD 0.0205 0.41147 5.47945
129 1WDK NAD 0.01752 0.41071 5.47945
130 2BH9 NAP 0.01561 0.40281 5.47945
131 5AYV KPL 0.04959 0.40038 5.47945
132 4K81 GTP 0.01535 0.41795 5.84795
133 4ZCC NAI 0.01369 0.44354 5.93607
134 4ZCC FAD 0.01369 0.44354 5.93607
135 2C7G FAD 0.03893 0.42118 5.93607
136 2C7G ODP 0.04268 0.41829 5.93607
137 5THQ NDP 0.02073 0.41502 5.93607
138 3KB6 NAD 0.01881 0.41472 5.93607
139 3QVP FAD 0.03741 0.41415 5.93607
140 3A06 NDP 0.02672 0.41372 5.93607
141 3A06 FOM 0.02917 0.41372 5.93607
142 4KVG GTP 0.01876 0.41067 5.95238
143 4HDO GNP 0.02134 0.40922 5.98802
144 3X1Z GNP 0.02669 0.40555 5.98802
145 5UFQ GNP 0.02618 0.40326 6.0241
146 2EW5 Y12 0.007592 0.42218 6.07735
147 1NVM NAD 0.01551 0.4228 6.08696
148 1VG8 GNP 0.02701 0.40395 6.28019
149 5VKT NAP 0.03264 0.40471 6.35359
150 2YYY NAP 0.00284 0.45844 6.39269
151 4XYB NDP 0.0136 0.42923 6.39269
152 4E5N NAD 0.01255 0.4276 6.39269
153 3ZEI AWH 0.01239 0.4254 6.39269
154 1YJQ NAP 0.01661 0.42355 6.39269
155 3B1F NAD 0.0137 0.41457 6.39269
156 2NAD NAD 0.02777 0.41386 6.39269
157 5O2T GSP 0.03098 0.40087 6.39269
158 2J9D ADP 0.01496 0.41264 6.72269
159 1ZH8 NAP 0.007987 0.43392 6.84932
160 2F5Z FAD 0.04937 0.40833 6.84932
161 1QZR ANP 0.0239 0.40669 6.84932
162 4DQ2 BTX 0.03035 0.40517 6.84932
163 1O0S NAI 0.02654 0.40152 6.84932
164 5ITV NAI 0.04111 0.40056 6.84932
165 4J56 FAD 0.0306 0.41973 7.01754
166 1UAD GNP 0.02166 0.40748 7.07071
167 1FS5 TLA 0.001771 0.44912 7.30594
168 2IID PHE 0.03611 0.42366 7.30594
169 2IID FAD 0.03611 0.42366 7.30594
170 5G3U ITW 0.031 0.41942 7.30594
171 4JTA NAP 0.03097 0.40925 7.30594
172 2VVL FAD 0.04677 0.40634 7.30594
173 2C5L GTP 0.02344 0.40712 7.69231
174 3WQQ IB3 0.03211 0.41609 7.76256
175 3WQQ NDP 0.03211 0.41609 7.76256
176 1LDM NAD 0.03904 0.40061 7.76256
177 1LFD GNP 0.02973 0.40042 8.04598
178 5UAV TFB 0.01474 0.42951 8.21918
179 5UAV NDP 0.01474 0.42951 8.21918
180 1COY AND 0.0397 0.42135 8.21918
181 1COY FAD 0.02568 0.42135 8.21918
182 5H81 NAP 0.02129 0.40487 8.21918
183 3IID APR 0.02861 0.40527 8.53081
184 1H82 FAD 0.01159 0.45043 8.6758
185 1H82 GZZ 0.01333 0.45043 8.6758
186 4W6Z 8ID 0.006707 0.44762 8.6758
187 4JK3 NAD 0.007633 0.43353 8.6758
188 4J4H NAI 0.02412 0.42698 8.6758
189 4J4H 1J1 0.02412 0.42698 8.6758
190 2IVD FAD 0.03967 0.40656 8.6758
191 3TWO NDP 0.04523 0.40253 8.6758
192 1JAY NAP 0.01289 0.4159 8.96226
193 4WXG 2BO 0.01015 0.42274 9.13242
194 3QV1 NAD 0.01446 0.41789 9.13242
195 1USF FMN 0.03463 0.40095 9.55056
196 1USF NAP 0.04209 0.40002 9.55056
197 1GR0 NAD 0.02404 0.41616 9.58904
198 5EB4 FAD 0.03489 0.41326 9.58904
199 1FFU CDP 0.03684 0.41018 9.58904
200 1H6C NDP 0.0409 0.4068 9.58904
201 2NU8 COA 0.02582 0.40629 9.58904
202 2W2X GSP 0.02427 0.40041 9.72973
203 1KNR FAD 0.0175 0.42943 10.0457
204 2D1S SLU 0.01899 0.41701 10.0457
205 1U7T NAD 0.0191 0.41437 10.0457
206 2IXB NAD 0.0342 0.40478 10.0457
207 2IXB A2G 0.04635 0.40478 10.0457
208 4D7E FAD 0.02129 0.42102 10.5023
209 2VHW NAI 0.02747 0.41512 10.5023
210 5GUD NDP 0.03495 0.41233 10.5023
211 5GUD 2IT 0.03542 0.41017 10.5023
212 4RYD 2UE ARG TBG ARG 00S 0.02415 0.40909 10.5023
213 5GUD CIT 0.03927 0.4068 10.5023
214 1GEE NAD 0.03418 0.40365 10.5023
215 1YY5 FAD 0.03365 0.41747 10.9589
216 1YQD NAP 0.04002 0.40334 11.4155
217 1GTE FAD 0.04659 0.41928 11.8721
218 4HA6 FAD 0.04692 0.40875 11.8721
219 2PWY SAH 0.02395 0.40379 11.8721
220 4AVB ACO 0.02521 0.40265 11.8721
221 5FI3 NAP 0.03769 0.40142 12.0448
222 3WBF NAP 0.01223 0.42568 12.3288
223 3WBF API 0.01543 0.42523 12.3288
224 5THY SAH 0.01735 0.40777 12.3288
225 4I9B NAD 0.01895 0.40417 12.3288
226 5THZ SAH 0.02832 0.40007 12.3288
227 1GUA GNP 0.02345 0.40711 12.3457
228 3ORF NAD 0.0267 0.40807 13.242
229 2YVK MRU 0.01877 0.40079 13.242
230 4L50 D8X 0.001501 0.42387 14.1553
231 2UZI GTP 0.01834 0.41118 14.9123
232 4XDZ NDP 0.02263 0.4079 15.0685
233 5E4R NAP 0.02878 0.40637 15.9817
234 1NYT NAP 0.03172 0.40034 15.9817
235 1RYD NDP 0.03549 0.41012 16.895
236 5EE5 GTP 0.0111 0.41752 16.9014
237 2VK4 TPP 0.03204 0.40012 17.3516
238 3FHI ANP 0.01678 0.41458 18.7215
239 4WB6 ATP 0.02353 0.40703 18.7215
240 2BJK NAD 0.04403 0.40216 20.0913
241 4B1W ATP 0.01882 0.40759 21.875
242 5B48 TDN 0.031 0.40588 25.5708
Pocket No.: 2; Query (leader) PDB : 1O8B; Ligand: ABF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1o8b.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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