Receptor
PDB id Resolution Class Description Source Keywords
2CGL 1.88 Å EC: 2.7.1.5 CRYSTAL STRUCTURE OF L-RHAMNULOSE KINASE FROM ESCHERICHIA CO COMPLEX WITH L-FRUCTOSE, ADP AND A MODELED ATP GAMMA PHOSPH ESCHERICHIA COLI BL21(DE3) TRANSFERASE L-RHAMNULOSE KINASE RHAMNOSE DEGRADATION HEXOHSP70- ACTIN SUPERFAMILY INDUCED FIT IN-LINE PHOSPHORYL TKINASE RHAMNOSE METABOLISM
Ref.: STRUCTURE AND REACTION MECHANISM OF L-RHAMNULOSE KI ESCHERICHIA COLI. J.MOL.BIOL. V. 359 787 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP PO3 A:1482;
Valid;
none;
submit data
503.15 n/a P(=O)...
LFR A:1481;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2UYT 1.55 Å EC: 2.7.1.5 STRUCTURE OF L-RHAMNULOSE KINASE IN COMPLEX WITH ADP AND BET RHAMNULOSE. ESCHERICHIA COLI BL21(DE3) RHAMNOSE DEGRADATION IN-LINE PHOSPHORYL TRANSFER HEXOKINASACTIN SUPERFAMILY L-RHAMNULOSE KINASE RHAMNOSE METABOLISMINDUCED FIT TRANSFERASE RARE SUGARS
Ref.: SUBSTRATE SPECTRUM OF L-RHAMNULOSE KINASE RELATED T DERIVED FROM TWO TERNARY COMPLEX STRUCTURES. FEBS LETT. V. 581 3127 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UYT - LRH C6 H12 O5 C[C@H]1[C@....
2 2CGL - LFR C6 H12 O6 C([C@H]1[C....
3 2CGJ - LFR C6 H12 O6 C([C@H]1[C....
70% 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 2UYT - LRH C6 H12 O5 C[C@H]1[C@....
2 2CGL - LFR C6 H12 O6 C([C@H]1[C....
3 2CGJ - LFR C6 H12 O6 C([C@H]1[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 2UYT - LRH C6 H12 O5 C[C@H]1[C@....
2 2CGL - LFR C6 H12 O6 C([C@H]1[C....
3 2CGJ - LFR C6 H12 O6 C([C@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP PO3; Similar ligands found: 348
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP PO3 1 1
2 ATP MG 1 1
3 ADP MG 0.888889 1
4 ATP A A A 0.813953 0.985507
5 ATP A 0.813953 0.985507
6 ALF ADP 0.8 0.918919
7 ADP ALF 0.8 0.918919
8 VO4 ADP 0.790123 0.957747
9 ADP VO4 0.790123 0.957747
10 ADP BMA 0.735632 0.944444
11 AMP 0.72 0.942857
12 A 0.72 0.942857
13 A2D 0.714286 0.943662
14 ABM 0.714286 0.916667
15 45A 0.714286 0.916667
16 GAP 0.710843 0.944444
17 ADP 0.708861 0.943662
18 APC MG 0.707317 0.971429
19 AR6 AR6 0.702128 0.971429
20 PO4 PO4 A A A A PO4 0.696629 0.956522
21 AP2 0.696203 0.905405
22 A12 0.696203 0.905405
23 BA3 0.696203 0.943662
24 AP5 0.6875 0.943662
25 B4P 0.6875 0.943662
26 AN2 0.679012 0.930556
27 AT4 0.679012 0.905405
28 APC 0.674699 0.905405
29 M33 0.670732 0.930556
30 DAL AMP 0.670455 0.957747
31 SRA 0.666667 0.891892
32 HEJ 0.662651 0.943662
33 ACP 0.662651 0.917808
34 50T 0.662651 0.90411
35 ATP 0.662651 0.943662
36 APR 0.654762 0.943662
37 AQP 0.654762 0.943662
38 AR6 0.654762 0.943662
39 5FA 0.654762 0.943662
40 AHZ 0.653061 0.860759
41 ACQ 0.651163 0.917808
42 AU1 0.650602 0.917808
43 CA0 0.650602 0.917808
44 ADX 0.650602 0.848101
45 AGS 0.647059 0.893333
46 ADV 0.647059 0.905405
47 RBY 0.647059 0.905405
48 AD9 0.647059 0.917808
49 SAP 0.647059 0.893333
50 KG4 0.642857 0.917808
51 PRX 0.635294 0.891892
52 A A 0.634409 0.943662
53 AF3 ADP 3PG 0.633663 0.883117
54 ANP 0.632184 0.917808
55 TAT 0.632184 0.905405
56 T99 0.632184 0.905405
57 6YZ 0.629214 0.917808
58 4TA 0.622642 0.85
59 MYR AMP 0.621053 0.860759
60 ATF 0.617977 0.905405
61 LMS 0.6125 0.825
62 8LE 0.606742 0.893333
63 5AL 0.606742 0.930556
64 HQG 0.604396 0.930556
65 SON 0.6 0.905405
66 MAP 0.597826 0.893333
67 A22 0.597826 0.930556
68 TYR AMP 0.59596 0.918919
69 AMP DBH 0.59596 0.917808
70 SRP 0.593407 0.905405
71 8LH 0.593407 0.905405
72 AMP NAD 0.592593 0.957747
73 9X8 0.589474 0.893333
74 5N5 0.586667 0.816901
75 A3R 0.585106 0.881579
76 A1R 0.585106 0.881579
77 ADQ 0.585106 0.917808
78 ARG AMP 0.584158 0.85
79 ADN 0.581081 0.842857
80 RAB 0.581081 0.842857
81 XYA 0.581081 0.842857
82 8LQ 0.580645 0.905405
83 AOC 0.578313 0.84507
84 NAJ PZO 0.576577 0.894737
85 25A 0.574468 0.943662
86 8QN 0.574468 0.930556
87 9ZD 0.574468 0.881579
88 OZV 0.574468 0.943662
89 9ZA 0.574468 0.881579
90 5SV 0.574468 0.846154
91 OOB 0.574468 0.930556
92 Z5A 0.573913 0.819277
93 OAD 0.572917 0.917808
94 NAJ PYZ 0.570175 0.85
95 5AS 0.569767 0.776471
96 AMO 0.568421 0.905405
97 PAJ 0.568421 0.858974
98 4AD 0.568421 0.918919
99 LPA AMP 0.567308 0.860759
100 NAD 0.563636 0.957747
101 AHX 0.5625 0.87013
102 DLL 0.5625 0.930556
103 00A 0.5625 0.881579
104 3OD 0.561224 0.917808
105 BIS 0.561224 0.881579
106 A4D 0.558442 0.816901
107 5CD 0.558442 0.828571
108 3UK 0.556701 0.917808
109 25L 0.555556 0.930556
110 A3D 0.553571 0.944444
111 AFH 0.553398 0.858974
112 7MD 0.553398 0.8375
113 PR8 0.55102 0.848101
114 B5V 0.55102 0.905405
115 LAD 0.55102 0.858974
116 WAQ 0.55102 0.881579
117 H1Q 0.550562 0.929577
118 9SN 0.55 0.87013
119 ME8 0.545455 0.8375
120 1ZZ 0.545455 0.8375
121 NB8 0.545455 0.87013
122 JB6 0.545455 0.881579
123 TXA 0.545455 0.905405
124 FYA 0.545455 0.90411
125 PTJ 0.545455 0.87013
126 EP4 0.5375 0.773333
127 7D5 0.536585 0.851351
128 NAE 0.534483 0.918919
129 G5A 0.532609 0.776471
130 A5A 0.531915 0.804878
131 M2T 0.530864 0.776316
132 DTA 0.530864 0.808219
133 3DH 0.53012 0.794521
134 NAQ 0.529915 0.894737
135 YAP 0.529412 0.893333
136 FA5 0.529412 0.905405
137 B5M 0.529412 0.893333
138 B5Y 0.529412 0.893333
139 G3A 0.528846 0.87013
140 7D3 0.528736 0.853333
141 ZID 0.525424 0.944444
142 MTA 0.52439 0.794521
143 XAH 0.524272 0.8375
144 G5P 0.52381 0.87013
145 A3P 0.522727 0.942857
146 G A A A 0.522124 0.894737
147 PAP 0.521739 0.929577
148 4UV 0.519231 0.893333
149 GTA 0.518868 0.860759
150 TAD 0.518868 0.858974
151 DQV 0.518868 0.930556
152 NAX 0.518519 0.848101
153 NAI 0.518519 0.881579
154 TSB 0.515464 0.795181
155 TXE 0.513761 0.881579
156 6RE 0.511628 0.779221
157 2A5 0.51087 0.866667
158 SSA 0.510417 0.776471
159 4UU 0.509434 0.893333
160 GA7 0.509434 0.88
161 YLP 0.509259 0.817073
162 48N 0.509259 0.87013
163 4TC 0.509091 0.87013
164 AP0 0.509091 0.87013
165 A G 0.508772 0.906667
166 U A 0.508621 0.906667
167 3AM 0.505882 0.901408
168 A2P 0.505618 0.928571
169 7D4 0.505495 0.853333
170 ATR 0.505376 0.915493
171 54H 0.505155 0.785714
172 52H 0.505155 0.776471
173 VMS 0.505155 0.785714
174 DSZ 0.50505 0.776471
175 NXX 0.504587 0.931507
176 TXD 0.504587 0.881579
177 UP5 0.504587 0.893333
178 6V0 0.504587 0.87013
179 DND 0.504587 0.931507
180 U A G G 0.504348 0.906667
181 ZAS 0.5 0.810811
182 J7C 0.5 0.766234
183 LAQ 0.5 0.8375
184 A3N 0.5 0.783784
185 53H 0.5 0.776471
186 5CA 0.5 0.776471
187 NDE 0.5 0.931507
188 OMR 0.5 0.82716
189 8X1 0.5 0.75
190 N01 0.495726 0.957747
191 NMN AMP PO4 0.495652 0.918919
192 ADJ 0.495575 0.82716
193 139 0.495575 0.848101
194 YLB 0.495495 0.817073
195 7MC 0.495495 0.817073
196 A A A 0.49505 0.957747
197 S4M 0.494382 0.702381
198 NDC 0.492063 0.894737
199 A4P 0.491071 0.797619
200 4UW 0.490909 0.858974
201 P5A 0.490196 0.741573
202 ENQ 0.490196 0.942857
203 LSS 0.49 0.758621
204 NSS 0.49 0.797619
205 MAO 0.488889 0.756098
206 DSH 0.488636 0.74359
207 F2R 0.486957 0.817073
208 TYM 0.486486 0.905405
209 9K8 0.485437 0.730337
210 NVA LMS 0.485149 0.770115
211 5X8 0.483871 0.783784
212 IMO 0.483146 0.901408
213 T5A 0.482456 0.817073
214 YLC 0.482143 0.8375
215 UPA 0.482143 0.881579
216 LEU LMS 0.480392 0.770115
217 V3L 0.479167 0.943662
218 CNA 0.478261 0.931507
219 CNV FAD 0.477941 0.819277
220 A U 0.477876 0.918919
221 GJV 0.477778 0.769231
222 6MZ 0.477778 0.902778
223 2AM 0.476744 0.888889
224 GSU 0.475728 0.776471
225 KAA 0.475728 0.75
226 A2R 0.474747 0.930556
227 FAD NBT 0.474453 0.747253
228 5AD 0.474359 0.768116
229 PPS 0.474227 0.825
230 SA8 0.473684 0.725
231 IOT 0.473684 0.807229
232 ITT 0.473118 0.888889
233 8PZ 0.471698 0.776471
234 COD 0.470085 0.788235
235 YLA 0.469565 0.817073
236 AV2 0.469388 0.864865
237 SFG 0.468085 0.77027
238 B1U 0.46729 0.752809
239 YSA 0.46729 0.776471
240 DZD 0.466102 0.858974
241 AYB 0.465517 0.807229
242 SAM 0.463918 0.728395
243 A7D 0.462366 0.797297
244 80F 0.462185 0.817073
245 FAD CNX 0.460993 0.723404
246 OVE 0.460674 0.853333
247 6AD 0.459184 0.858974
248 BTX 0.457627 0.817073
249 MHZ 0.457447 0.694118
250 71V 0.456522 0.857143
251 A3G 0.455556 0.797297
252 COA FLC 0.455285 0.809524
253 BT5 0.453782 0.807229
254 6C6 0.453608 0.855263
255 SAH 0.453608 0.763158
256 HFD 0.453608 0.893333
257 JSQ 0.453608 0.893333
258 SAI 0.453608 0.753247
259 GDP AF3 0.451923 0.8375
260 Y3J 0.451219 0.746479
261 M24 0.45082 0.848101
262 4YB 0.45045 0.758621
263 7D7 0.45 0.763889
264 SMM 0.45 0.722892
265 PAX 0.448 0.82716
266 P6G FDA 0.447552 0.790698
267 P33 FDA 0.447552 0.764045
268 A C A C 0.446281 0.894737
269 NO7 0.445545 0.88
270 7C5 0.445455 0.815789
271 EEM 0.444444 0.728395
272 A5D 0.443299 0.808219
273 KOY 0.442478 0.824324
274 ARU 0.442308 0.8125
275 NAJ 0.440678 0.957747
276 NAP 0.44 0.944444
277 NEC 0.43956 0.743243
278 YLY 0.439024 0.807229
279 GDP ALF 0.438095 0.8375
280 NA7 0.438095 0.905405
281 ALF GDP 0.438095 0.8375
282 DAT 0.4375 0.853333
283 GEK 0.436893 0.779221
284 TAP 0.436508 0.906667
285 FAD NBA 0.436242 0.723404
286 S7M 0.435644 0.728395
287 WSA 0.434783 0.785714
288 U A C C 0.434426 0.906667
289 6IA 0.434343 0.8125
290 3AT 0.434343 0.916667
291 J4G 0.433962 0.893333
292 NHD 0.433333 0.930556
293 EAD 0.433071 0.848101
294 NA0 0.433071 0.931507
295 0UM 0.432692 0.716049
296 AMZ 0.431818 0.863014
297 A3S 0.431579 0.808219
298 P1H 0.430769 0.82716
299 AAT 0.43 0.725
300 N0B 0.428571 0.817073
301 GDP 7MG 0.428571 0.883117
302 PGS 0.427083 0.857143
303 2SA 0.425743 0.88
304 A6D 0.424528 0.7625
305 N5O 0.423913 0.76
306 DA 0.423913 0.851351
307 D5M 0.423913 0.851351
308 AVV 0.423077 0.87013
309 A3T 0.42268 0.819444
310 649 0.422414 0.741573
311 NIA 0.422222 0.820513
312 U A A U 0.421875 0.906667
313 DTP 0.42 0.853333
314 AAM 0.419355 0.942857
315 8Q2 0.418803 0.75
316 C2R 0.41573 0.851351
317 62X 0.415094 0.682353
318 EO7 0.414894 0.785714
319 N5A 0.414894 0.733333
320 NFD 0.414634 0.906667
321 LQJ 0.414414 0.916667
322 128 0.413793 0.752941
323 FB0 0.413534 0.761364
324 GGZ 0.413462 0.8
325 101 0.413043 0.851351
326 TM1 0.412844 0.771084
327 3AD 0.411765 0.828571
328 APC G U 0.41129 0.857143
329 K15 0.411215 0.698795
330 0WD 0.409836 0.87013
331 6K6 0.409524 0.902778
332 S8M 0.409524 0.75641
333 ALF 5GP 0.407767 0.8375
334 FDA 0.407407 0.788235
335 AIR 0.406977 0.873239
336 A U C C 0.406015 0.894737
337 NZQ 0.404959 0.858974
338 6FA 0.404412 0.817073
339 SXZ 0.40367 0.728395
340 ACK 0.402174 0.859155
341 QQY 0.402174 0.813333
342 7DD 0.402062 0.929577
343 N6P 0.401869 0.887324
344 NJP 0.401639 0.918919
345 9JJ 0.4 0.860759
346 SLU 0.4 0.767442
347 KB1 0.4 0.716049
348 HMG 0.4 0.790698
Ligand no: 2; Ligand: LFR; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 SF9 1 1
2 PSV 1 1
3 FRU 1 1
4 SF6 1 1
5 LFR 1 1
6 TA6 0.564103 0.744186
7 F6P 0.564103 0.744186
8 LBS 0.511111 0.888889
9 FRU FRU 0.511111 0.888889
10 F1X 0.487805 0.744186
11 LRH 0.484848 0.882353
12 0UB 0.479167 0.888889
13 FRU FRU FRU FRU 0.479167 0.888889
14 GLC Z9N 0.44 0.864865
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2UYT; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2uyt.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2UYT; Ligand: LRH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2uyt.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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