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Receptor
PDB id Resolution Class Description Source Keywords
3OVR 1.95 Å EC: 5.1.3.1 CRYSTAL STRUCTURE OF HRPE AND D-XYLULOSE 5-PHOSPHATE COMPLEX HOMO SAPIENS D-XYLULOSE 5-PHOSPHATE ISOMERASE
Ref.: CONVERSION OF D-RIBULOSE 5-PHOSPHATE TO D-XYLULOSE 5-PHOSPHATE: NEW INSIGHTS FROM STRUCTURAL AND BIOCH STUDIES ON HUMAN RPE FASEB J. V. 25 497 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5SP A:230;
B:230;
Valid;
Valid;
none;
none;
submit data
230.11 C5 H11 O8 P C([C@...
FE2 A:229;
B:229;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+2...
XPE A:231;
A:232;
A:233;
A:234;
B:231;
B:232;
B:233;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
458.541 C20 H42 O11 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OVR 1.95 Å EC: 5.1.3.1 CRYSTAL STRUCTURE OF HRPE AND D-XYLULOSE 5-PHOSPHATE COMPLEX HOMO SAPIENS D-XYLULOSE 5-PHOSPHATE ISOMERASE
Ref.: CONVERSION OF D-RIBULOSE 5-PHOSPHATE TO D-XYLULOSE 5-PHOSPHATE: NEW INSIGHTS FROM STRUCTURAL AND BIOCH STUDIES ON HUMAN RPE FASEB J. V. 25 497 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3OVQ - 5RP C5 H11 O8 P C([C@H]([C....
2 3OVR - 5SP C5 H11 O8 P C([C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3OVQ - 5RP C5 H11 O8 P C([C@H]([C....
2 3OVR - 5SP C5 H11 O8 P C([C@H]([C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3OVQ - 5RP C5 H11 O8 P C([C@H]([C....
2 3OVR - 5SP C5 H11 O8 P C([C@H]([C....
3 2FLI - DX5 C5 H13 O8 P C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5SP; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 5RP 1 1
2 HMS 1 1
3 5SP 1 1
4 XBP 0.657895 0.944444
5 RUB 0.657895 0.944444
6 F6R 0.641026 0.972222
7 TG6 0.641026 0.972222
8 I22 0.609756 0.972222
9 DER 0.594595 0.891892
10 DEZ 0.594595 0.891892
11 DXP 0.578947 0.815789
12 RES 0.536585 0.673469
13 PA5 0.512195 0.891892
14 R10 0.512195 0.891892
15 GOS 0.5 0.916667
16 P6T 0.5 0.944444
17 2FP 0.5 0.944444
18 M2P 0.5 0.916667
19 P6F 0.5 0.944444
20 LG6 0.488372 0.891892
21 6PG 0.488372 0.891892
22 HG3 0.485714 0.783784
23 PAN 0.466667 0.673469
24 9C2 0.456522 0.66
25 4TP 0.452381 0.75
26 LXP 0.45 0.944444
27 A5P 0.45 0.944444
28 LX1 0.45 0.815789
29 DX5 0.45 0.944444
30 XUL 0.444444 0.638889
31 QDK 0.444444 0.638889
32 RBL 0.444444 0.638889
33 S6P 0.439024 0.916667
34 KD0 0.425532 0.891892
35 E4P 0.425 0.861111
36 5FX 0.421053 0.605263
37 TX4 0.418605 0.632653
38 R5P 0.418605 0.916667
39 R52 0.418605 0.916667
40 DG6 0.418605 0.918919
41 3PG 0.410256 0.837838
42 H4P 0.408163 0.772727
43 52L 0.408163 0.723404
44 DG2 0.404762 0.810811
45 AGP 0.4 0.75
46 G6Q 0.4 0.916667
47 M6R 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OVR; Ligand: 5SP; Similar sites found with APoc: 307
This union binding pocket(no: 1) in the query (biounit: 3ovr.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1B4B ARG None
2 6FHQ DE5 None
3 2WCU FUC None
4 1QDS PGA None
5 1ZEI CRS None
6 1KR3 113 0.877193
7 3JQM GTP 1.27389
8 2OQ5 BEN 1.31579
9 1JCM 137 1.31579
10 1TRD PGH 1.31579
11 5V6F MAN BMA MAN 1.44928
12 5JSP DQY 1.49254
13 3N8K D1X 1.74419
14 4XP7 FNR 1.75439
15 1B7A OPE 2.15054
16 3U6W KIV 2.19298
17 4JGT PYR 2.19298
18 3GAY P6T 2.19298
19 1V1A ADP 2.19298
20 2GNB MAN 2.19298
21 5VJE GOS 2.19298
22 1UKG MMA 2.19298
23 5MB4 NAG 2.19298
24 2V7B BEZ 2.19298
25 3W54 RNB 2.19298
26 1V1A KDG 2.19298
27 4N14 WR7 2.63158
28 4V15 PLP 2.63158
29 5XEG AKG 2.63158
30 5EXK MET 2.63158
31 2PZE ATP 2.63158
32 3KU0 ADE 2.63158
33 1SW0 PGA 2.63158
34 2HJR CIT 2.63158
35 5ENZ UDP 2.63158
36 1KBJ FMN 2.63158
37 3DUV KDO 2.63158
38 4UTG ANP 2.63158
39 4NFE BEN 2.63158
40 5YRJ BGC GLC 2.8169
41 3BW2 FMN 2.98103
42 2VQ5 HBA 2.98507
43 4UTU LRY 3.07018
44 4UTW RFW 3.07018
45 1ELI PYC 3.07018
46 1PZ1 NAP 3.07018
47 4ISS TAR 3.07018
48 4CW5 FMN 3.07018
49 1MJT NAD 3.07018
50 2ZV2 609 3.07018
51 4B7J G39 3.07018
52 2Z9V PXM 3.07018
53 2ET1 GLV 3.48259
54 4BI7 PGA 3.50877
55 3MI2 PFU 3.50877
56 2QCD U5P 3.50877
57 1UUO BRF 3.50877
58 1UUO FMN 3.50877
59 1UUO ORO 3.50877
60 4HKP TKW 3.50877
61 4YRD 3IT 3.50877
62 4HKP 16B 3.50877
63 1LYX PGA 3.50877
64 1GPM CIT 3.50877
65 1VHN FMN 3.50877
66 2EG7 OTD 3.50877
67 3VNM SDD 3.50877
68 3TAO PGH 3.50877
69 1TUU AMP 3.50877
70 3P3N AKG 3.50877
71 1X1Z BMP 3.94737
72 1LOR BMP 3.94737
73 2FJK 13P 3.94737
74 3KRU FMN 3.94737
75 5T96 79J 3.94737
76 2VL1 GLY GLY 3.94737
77 2VEG PMM 3.94737
78 4JX1 CAH 3.94737
79 2IVD ACJ 3.94737
80 2FDW D3G 3.94737
81 2VAR KDG 3.94737
82 3KDN CAP 3.94737
83 1ZGS XMM 3.94737
84 2VAR KDF 3.94737
85 2FFC U5P 3.94737
86 1Z03 OCH 3.94737
87 4BXF AKG 3.94737
88 5AIG VPR 4
89 4OCT AKG 4.05405
90 2ZUX RAM 4.06091
91 2ZL4 ALA ALA ALA ALA 4.08163
92 5O3Q CMP 4.16667
93 6BVE PGA 4.38596
94 4RQL SNE 4.38596
95 1W8S FBP 4.38596
96 4C6F NCD 4.38596
97 4C6F DOR 4.38596
98 1ICP FMN 4.38596
99 5VSM 5AD 4.38596
100 2YPI PGA 4.38596
101 5VSM MET 4.38596
102 2RJH DCS 4.38596
103 3VKC FPQ 4.38596
104 5DMM HCS 4.38596
105 4Q4K FMN 4.48179
106 5TFZ 7BC 4.66667
107 6BKA FMN 4.82456
108 3B0P FMN 4.82456
109 2PLK P3D 4.82456
110 1SR9 KIV 4.82456
111 4IXH IMP 4.82456
112 1OX5 1PR 4.82456
113 3GLC R5P 4.82456
114 2OO0 PLP 4.82456
115 4GN8 ASO 4.82456
116 4XDY HIO 4.82456
117 5EYW PGA 4.82456
118 2Q3R FMN 4.82456
119 2HK1 FUD 4.82456
120 5OCS FMN 4.82456
121 3VY6 BGC BGC 4.96454
122 3UB7 ACM 4.97238
123 4RYV ZEA 5.16129
124 1CX9 NHP 5.26316
125 5GVH FMN 5.26316
126 1PVN MZP 5.26316
127 1FIW PBZ 5.26316
128 1ME8 RVP 5.26316
129 5Z3I ADE 5.26316
130 2F5X ASP 5.26316
131 4G7A AZM 5.26316
132 2QE0 NAP 5.26316
133 6AM8 TRP 5.26316
134 1ONX ASP 5.26316
135 5ZAI COA 5.26316
136 4DBH OXL 5.26316
137 3ZGJ RMN 5.26316
138 6FOG OXL 5.35714
139 1VJE MSE 5.42169
140 1INN MET 5.42169
141 1Z4O GL1 5.42986
142 1Q6O LG6 5.55556
143 1APZ ASP 5.55556
144 5TCI MLI 5.70175
145 1Z44 FMN 5.70175
146 1Z48 FMN 5.70175
147 3N9R TD3 5.70175
148 1Z42 FMN 5.70175
149 4IGH ORO 5.70175
150 4IGH 1EA 5.70175
151 4IGH FMN 5.70175
152 1Z41 FMN 5.70175
153 1WDD CAP 5.70175
154 3AXK NDP 5.70175
155 3W9Z FMN 5.70175
156 3C56 PH4 5.70175
157 4L77 CNL 5.70175
158 1LQA NDP 5.70175
159 2HIM ASN 5.70175
160 1KBI PYR 5.70175
161 1KBI FMN 5.70175
162 1EIX BMQ 5.70175
163 4X7Q 3YR 5.70175
164 1UZH CAP 5.7377
165 1J3R 6PG 5.78947
166 3EW2 BTN 5.92593
167 1M5W DXP 6.14035
168 1LBF 137 6.14035
169 2ZRU FMN 6.14035
170 1NJJ ORX 6.14035
171 3P4X ADP 6.14035
172 4ZOH MCN 6.14035
173 2BDG PBZ 6.27803
174 2V63 CAP 6.42857
175 1IR2 CAP 6.42857
176 2VDH CAP 6.42857
177 2V6A CAP 6.42857
178 2V68 CAP 6.42857
179 2V67 CAP 6.42857
180 1GK8 CAP 6.42857
181 1CT9 GLN 6.57895
182 5EO8 TFU 6.57895
183 3EXS 5RP 6.78733
184 1IGJ DGX 6.84932
185 4AF0 IMP 7.01754
186 1PS9 FMN 7.01754
187 3UWV 2PG 7.01754
188 4QCK ASD 7.01754
189 3FU8 3DM 7.01754
190 5HR5 FLC 7.01754
191 1NVM OXL 7.01754
192 3WUC GLC GAL 7.29927
193 1EP2 ORO 7.45614
194 1EP2 FMN 7.45614
195 1C1X HFA 7.45614
196 1DQX BMP 7.45614
197 1BW9 PPY 7.45614
198 2Q3M MLA 7.45614
199 2NVA PL2 7.45614
200 4M3P HCS 7.45614
201 5B09 4MX 7.69231
202 5YRG BGC GLC 7.74648
203 2FKA BEF 7.75194
204 3FGZ BEF 7.8125
205 2F6U CIT 7.89474
206 1TUF AZ1 7.89474
207 5X7Q GLC GLC 7.89474
208 4I9A NCN 7.89474
209 5N9Z CAP 7.91367
210 5OYA CAP 7.91367
211 2ARC ARA 7.92683
212 1C3M MAN MAN 8.16327
213 1UZD CAP 8.20895
214 5A5W GUO 8.33333
215 6B74 BEN 8.33333
216 4ORM 2V6 8.33333
217 4ORM ORO 8.33333
218 4ORM FMN 8.33333
219 1FDJ 13P 8.33333
220 5YJS SAL 8.33333
221 1TV5 FMN 8.33333
222 5AHN IMP 8.58896
223 2GJN NIS 8.77193
224 2GJN FMN 8.77193
225 1G51 AMP 8.77193
226 4TO8 FLC 8.77193
227 3HF3 FMN 8.77193
228 1GXU 2HP 8.79121
229 2HYR BGC GLC 9.01639
230 2GUC MAN 9.01639
231 2GUD MAN 9.01639
232 4YMZ 13P 9.21053
233 2BTM PGA 9.21053
234 2Q3O FMN 9.21053
235 2C6Q NDP 9.21053
236 2BE5 TGT 9.21053
237 2BLE 5GP 9.21053
238 2C6Q IMP 9.21053
239 2WME NAP 9.21053
240 5TQZ GLC 9.33333
241 3QH2 3NM 9.50226
242 3B9O FMN 9.64912
243 2C91 NAP 9.64912
244 1GTE IUR 10.0877
245 1GTE FMN 10.0877
246 4Z87 5GP 10.0877
247 5EZU MYR 10.1124
248 5AHM IMP 10.25
249 3RGA LSB 10.5263
250 4LUT DCS 10.5263
251 2Z6I FMN 10.9649
252 5XFV FMN 10.9649
253 5GJO PLP 10.9649
254 1P6O HPY 11.1801
255 2P8O BVA 11.3402
256 1OVD ORO 11.4035
257 1OVD FMN 11.4035
258 2PNC CLU 11.4035
259 3KCC CMP 11.4035
260 1OFZ FUC 11.4035
261 1GPJ CIT 11.4035
262 4O48 ASP 11.4035
263 2TPS TPS 11.8943
264 1Y7P RIP 12.1076
265 2Q8Z NUP 12.7193
266 1DBT U5P 12.7193
267 3C3N FMN 12.7193
268 4JEJ 1GP 13.1579
269 1OFD FMN 13.1579
270 1OFD AKG 13.1579
271 4NAE 1GP 13.3333
272 5J5R 6G1 13.5965
273 5J5R IMP 13.5965
274 1RBO CAP 13.8211
275 1IR1 CAP 13.8211
276 2HSA FMN 14.0351
277 4WZH FMN 14.0351
278 2OEM 1AE 14.0351
279 2GOO NDG 14.0351
280 1L5Y BEF 14.1935
281 4K37 SAM 14.4737
282 4K39 SAM 14.4737
283 4K38 SAM 14.4737
284 5LXT GTP 14.4737
285 1BWV CAP 14.4737
286 1IGW PYR 14.4737
287 3OIX FMN 14.9123
288 3MJY IJZ 15.3509
289 3MJY FMN 15.3509
290 1R37 ETX 15.3509
291 1VKF CIT 15.4255
292 2Z6J FMN 15.7895
293 1ON3 DXX 15.7895
294 6HDT BTN 16.5414
295 2Y88 2ER 16.6667
296 4EWN 0VR 17.1053
297 5UN9 NHT 17.1053
298 5CSS G3P 17.6991
299 2WDQ TEO 17.9825
300 4NPT 017 20.202
301 4A34 FUL 21.7687
302 4Z0G 5GP 22.3684
303 1GVF PGH 23.6842
304 1RBL CAP 23.8532
305 5I8F ML1 24.8485
306 1UJP CIT 33.7719
307 3CTL S6P 49.5614
Pocket No.: 2; Query (leader) PDB : 3OVR; Ligand: 5SP; Similar sites found with APoc: 82
This union binding pocket(no: 2) in the query (biounit: 3ovr.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5C2N NAG None
2 1G16 GDP None
3 5EW9 5VC 0.877193
4 1SLT NDG GAL 1.49254
5 4Z7X 3CX 2.19298
6 2GN3 MAN 2.19298
7 1Q8S MAN MMA 2.19298
8 2BKX F6R 2.19298
9 5EOB 5QQ 2.19298
10 1OSS BEN 2.24215
11 3HDY FAD 2.63158
12 3HDY GDU 2.63158
13 5YRM BGC GLC 2.8169
14 5GLT BGC GAL NAG GAL 2.8169
15 6GNO XDI 2.96296
16 6F5W KG1 3.07018
17 3WQD PLP 999 3.07018
18 1P4V GLY 3.07018
19 5X80 SAL 3.125
20 1ZNY GDP 3.38164
21 6CI9 F3V 3.50877
22 5TE1 7A2 3.50877
23 6F97 FAD 3.50877
24 2HXW FLC 3.50877
25 3BEO UDP 3.50877
26 5A1S FLC 3.50877
27 5LUN ARG 3.50877
28 5WS9 AMP 3.50877
29 4B1M FRU FRU 3.78378
30 1ZQ5 NAP 3.94737
31 1ZQ5 E04 3.94737
32 5MRH Q9Z 3.94737
33 4RDL FUC GAL NDG FUC 3.94737
34 2UVO NAG 4.09357
35 1XXR MAN 4.34783
36 5A7Y SAH 4.38596
37 3QXY SAM 4.38596
38 4UP4 GAL NAG 4.38596
39 4ADC PLP 4.38596
40 5MIL DUP 4.45545
41 5CIC 51R 4.62963
42 4D4U FUC NDG GAL FUC 4.82456
43 5KBF CMP 4.82456
44 5B19 TLA 4.82456
45 5C8W PCG 4.8951
46 1F76 FMN 5.26316
47 6CUZ FEV 5.26316
48 3O84 HTJ 5.26316
49 3GD8 GOL 5.38117
50 1V59 NAD 5.70175
51 1A78 TDG 5.97015
52 3K56 IS3 6.14035
53 3VSV XYP 6.14035
54 5H4S RAM 6.14035
55 1U1J MET 6.57895
56 6HKE MLT 6.57895
57 6HKE LMR 6.57895
58 4BWL MN9 6.57895
59 1A8S PPI 7.01754
60 1C1D PHE 7.45614
61 4RLT FSE 7.59494
62 1XXA ARG 7.69231
63 2JBM SRT 7.89474
64 2AIQ BEN 7.89474
65 3HQ9 OXL 7.89474
66 1QPR PPC 7.89474
67 1KC7 PPR 8.33333
68 5XLA SIA 8.77193
69 4QNW FMN 8.77193
70 2HFN FMN 9.15033
71 4A22 TD4 9.21053
72 2ZX2 RAM 9.23077
73 1VBO MAN 10.0671
74 4IF4 BEF 11.0577
75 2W47 UNF 11.1111
76 2VD9 IN5 11.4035
77 2VD9 EPC 11.4035
78 4P8O 883 12.8342
79 1O5E 132 14.9123
80 2Y7G AAE 16.2281
81 1L7N ALF 18.9573
82 1VFS DCS 19.7368
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