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: 326
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP PO3 1 1
2 ATP A A A 0.813953 0.985507
3 ALF ADP 0.8 0.918919
4 ADP ALF 0.8 0.918919
5 VO4 ADP 0.790123 0.957747
6 ADP VO4 0.790123 0.957747
7 ADP BMA 0.735632 0.944444
8 AMP 0.72 0.942857
9 A 0.72 0.942857
10 A2D 0.714286 0.943662
11 ABM 0.714286 0.916667
12 GAP 0.710843 0.944444
13 ADP 0.708861 0.943662
14 AR6 AR6 0.702128 0.971429
15 PO4 PO4 A A A A PO4 0.696629 0.956522
16 A12 0.696203 0.905405
17 BA3 0.696203 0.943662
18 AP2 0.696203 0.905405
19 B4P 0.6875 0.943662
20 AP5 0.6875 0.943662
21 AN2 0.679012 0.930556
22 AT4 0.679012 0.905405
23 APC 0.674699 0.905405
24 M33 0.670732 0.930556
25 DAL AMP 0.670455 0.957747
26 SRA 0.666667 0.891892
27 50T 0.662651 0.90411
28 ACP 0.662651 0.917808
29 HEJ 0.662651 0.943662
30 ATP 0.662651 0.943662
31 AQP 0.654762 0.943662
32 APR 0.654762 0.943662
33 5FA 0.654762 0.943662
34 AR6 0.654762 0.943662
35 AHZ 0.653061 0.860759
36 ACQ 0.651163 0.917808
37 ADX 0.650602 0.848101
38 AU1 0.650602 0.917808
39 CA0 0.650602 0.917808
40 ADV 0.647059 0.905405
41 SAP 0.647059 0.893333
42 RBY 0.647059 0.905405
43 AD9 0.647059 0.917808
44 AGS 0.647059 0.893333
45 PRX 0.635294 0.891892
46 A A 0.634409 0.943662
47 AF3 ADP 3PG 0.633663 0.883117
48 T99 0.632184 0.905405
49 ANP 0.632184 0.917808
50 TAT 0.632184 0.905405
51 6YZ 0.629214 0.917808
52 4TA 0.622642 0.85
53 MYR AMP 0.621053 0.860759
54 ATF 0.617977 0.905405
55 LMS 0.6125 0.825
56 5AL 0.606742 0.930556
57 SON 0.6 0.905405
58 MAP 0.597826 0.893333
59 A22 0.597826 0.930556
60 AMP DBH 0.59596 0.917808
61 TYR AMP 0.59596 0.918919
62 SRP 0.593407 0.905405
63 AMP NAD 0.592593 0.957747
64 9X8 0.589474 0.893333
65 5N5 0.586667 0.816901
66 A3R 0.585106 0.881579
67 A1R 0.585106 0.881579
68 ADQ 0.585106 0.917808
69 ARG AMP 0.584158 0.85
70 XYA 0.581081 0.842857
71 ADN 0.581081 0.842857
72 RAB 0.581081 0.842857
73 AOC 0.578313 0.84507
74 NAJ PZO 0.576577 0.894737
75 OOB 0.574468 0.930556
76 9ZA 0.574468 0.881579
77 25A 0.574468 0.943662
78 5SV 0.574468 0.846154
79 8QN 0.574468 0.930556
80 9ZD 0.574468 0.881579
81 Z5A 0.573913 0.819277
82 OAD 0.572917 0.917808
83 NAJ PYZ 0.570175 0.85
84 5AS 0.569767 0.776471
85 4AD 0.568421 0.918919
86 AMO 0.568421 0.905405
87 PAJ 0.568421 0.858974
88 LPA AMP 0.567308 0.860759
89 NAD 0.563636 0.957747
90 00A 0.5625 0.881579
91 AHX 0.5625 0.87013
92 DLL 0.5625 0.930556
93 3OD 0.561224 0.917808
94 BIS 0.561224 0.881579
95 5CD 0.558442 0.828571
96 A4D 0.558442 0.816901
97 3UK 0.556701 0.917808
98 25L 0.555556 0.930556
99 A3D 0.553571 0.944444
100 7MD 0.553398 0.8375
101 AFH 0.553398 0.858974
102 B5V 0.55102 0.905405
103 LAD 0.55102 0.858974
104 PR8 0.55102 0.848101
105 WAQ 0.55102 0.881579
106 9SN 0.55 0.87013
107 JB6 0.545455 0.881579
108 1ZZ 0.545455 0.8375
109 NB8 0.545455 0.87013
110 PTJ 0.545455 0.87013
111 FYA 0.545455 0.90411
112 ME8 0.545455 0.8375
113 TXA 0.545455 0.905405
114 EP4 0.5375 0.773333
115 7D5 0.536585 0.851351
116 NAE 0.534483 0.918919
117 G5A 0.532609 0.776471
118 A5A 0.531915 0.804878
119 M2T 0.530864 0.776316
120 DTA 0.530864 0.808219
121 3DH 0.53012 0.794521
122 NAQ 0.529915 0.894737
123 FA5 0.529412 0.905405
124 YAP 0.529412 0.893333
125 B5Y 0.529412 0.893333
126 B5M 0.529412 0.893333
127 G3A 0.528846 0.87013
128 7D3 0.528736 0.853333
129 ZID 0.525424 0.944444
130 MTA 0.52439 0.794521
131 XAH 0.524272 0.8375
132 G5P 0.52381 0.87013
133 A3P 0.522727 0.942857
134 G A A A 0.522124 0.894737
135 PAP 0.521739 0.929577
136 4UV 0.519231 0.893333
137 GTA 0.518868 0.860759
138 TAD 0.518868 0.858974
139 DQV 0.518868 0.930556
140 NAI 0.518519 0.881579
141 NAX 0.518519 0.848101
142 TSB 0.515464 0.795181
143 TXE 0.513761 0.881579
144 6RE 0.511628 0.779221
145 2A5 0.51087 0.866667
146 SSA 0.510417 0.776471
147 4UU 0.509434 0.893333
148 GA7 0.509434 0.88
149 YLP 0.509259 0.817073
150 48N 0.509259 0.87013
151 4TC 0.509091 0.87013
152 AP0 0.509091 0.87013
153 A G 0.508772 0.906667
154 U A 0.508621 0.906667
155 3AM 0.505882 0.901408
156 A2P 0.505618 0.928571
157 7D4 0.505495 0.853333
158 ATR 0.505376 0.915493
159 54H 0.505155 0.785714
160 VMS 0.505155 0.785714
161 52H 0.505155 0.776471
162 DSZ 0.50505 0.776471
163 UP5 0.504587 0.893333
164 DND 0.504587 0.931507
165 NXX 0.504587 0.931507
166 TXD 0.504587 0.881579
167 6V0 0.504587 0.87013
168 U A G G 0.504348 0.906667
169 5CA 0.5 0.776471
170 53H 0.5 0.776471
171 NDE 0.5 0.931507
172 8X1 0.5 0.75
173 ZAS 0.5 0.810811
174 LAQ 0.5 0.8375
175 OMR 0.5 0.82716
176 J7C 0.5 0.766234
177 A3N 0.5 0.783784
178 N01 0.495726 0.957747
179 NMN AMP PO4 0.495652 0.918919
180 139 0.495575 0.848101
181 ADJ 0.495575 0.82716
182 YLB 0.495495 0.817073
183 7MC 0.495495 0.817073
184 A A A 0.49505 0.957747
185 S4M 0.494382 0.702381
186 NDC 0.492063 0.894737
187 A4P 0.491071 0.797619
188 4UW 0.490909 0.858974
189 P5A 0.490196 0.741573
190 ENQ 0.490196 0.942857
191 LSS 0.49 0.758621
192 NSS 0.49 0.797619
193 MAO 0.488889 0.756098
194 DSH 0.488636 0.74359
195 F2R 0.486957 0.817073
196 TYM 0.486486 0.905405
197 9K8 0.485437 0.730337
198 NVA LMS 0.485149 0.770115
199 5X8 0.483871 0.783784
200 IMO 0.483146 0.901408
201 T5A 0.482456 0.817073
202 YLC 0.482143 0.8375
203 UPA 0.482143 0.881579
204 LEU LMS 0.480392 0.770115
205 V3L 0.479167 0.943662
206 CNA 0.478261 0.931507
207 CNV FAD 0.477941 0.819277
208 A U 0.477876 0.918919
209 GJV 0.477778 0.769231
210 2AM 0.476744 0.888889
211 KAA 0.475728 0.75
212 GSU 0.475728 0.776471
213 A2R 0.474747 0.930556
214 FAD NBT 0.474453 0.747253
215 5AD 0.474359 0.768116
216 PPS 0.474227 0.825
217 IOT 0.473684 0.807229
218 SA8 0.473684 0.725
219 ITT 0.473118 0.888889
220 8PZ 0.471698 0.776471
221 COD 0.470085 0.788235
222 YLA 0.469565 0.817073
223 AV2 0.469388 0.864865
224 SFG 0.468085 0.77027
225 YSA 0.46729 0.776471
226 DZD 0.466102 0.858974
227 AYB 0.465517 0.807229
228 SAM 0.463918 0.728395
229 A7D 0.462366 0.797297
230 80F 0.462185 0.817073
231 FAD CNX 0.460993 0.723404
232 OVE 0.460674 0.853333
233 6AD 0.459184 0.858974
234 BTX 0.457627 0.817073
235 MHZ 0.457447 0.694118
236 71V 0.456522 0.857143
237 A3G 0.455556 0.797297
238 BT5 0.453782 0.807229
239 6C6 0.453608 0.855263
240 SAI 0.453608 0.753247
241 SAH 0.453608 0.763158
242 HFD 0.453608 0.893333
243 GDP AF3 0.451923 0.8375
244 Y3J 0.451219 0.746479
245 M24 0.45082 0.848101
246 4YB 0.45045 0.758621
247 7D7 0.45 0.763889
248 SMM 0.45 0.722892
249 PAX 0.448 0.82716
250 P6G FDA 0.447552 0.790698
251 P33 FDA 0.447552 0.764045
252 A C A C 0.446281 0.894737
253 7C5 0.445455 0.815789
254 EEM 0.444444 0.728395
255 A5D 0.443299 0.808219
256 ARU 0.442308 0.8125
257 NAJ 0.440678 0.957747
258 NAP 0.44 0.944444
259 NEC 0.43956 0.743243
260 YLY 0.439024 0.807229
261 NA7 0.438095 0.905405
262 GDP ALF 0.438095 0.8375
263 ALF GDP 0.438095 0.8375
264 DAT 0.4375 0.853333
265 GEK 0.436893 0.779221
266 TAP 0.436508 0.906667
267 FAD NBA 0.436242 0.723404
268 S7M 0.435644 0.728395
269 WSA 0.434783 0.785714
270 U A C C 0.434426 0.906667
271 3AT 0.434343 0.916667
272 6IA 0.434343 0.8125
273 NHD 0.433333 0.930556
274 EAD 0.433071 0.848101
275 NA0 0.433071 0.931507
276 0UM 0.432692 0.716049
277 AMZ 0.431818 0.863014
278 A3S 0.431579 0.808219
279 P1H 0.430769 0.82716
280 AAT 0.43 0.725
281 GDP 7MG 0.428571 0.883117
282 N0B 0.428571 0.817073
283 PGS 0.427083 0.857143
284 2SA 0.425743 0.88
285 A6D 0.424528 0.7625
286 DA 0.423913 0.851351
287 D5M 0.423913 0.851351
288 AVV 0.423077 0.87013
289 A3T 0.42268 0.819444
290 649 0.422414 0.741573
291 NIA 0.422222 0.820513
292 U A A U 0.421875 0.906667
293 DTP 0.42 0.853333
294 AAM 0.419355 0.942857
295 8Q2 0.418803 0.75
296 C2R 0.41573 0.851351
297 62X 0.415094 0.682353
298 EO7 0.414894 0.785714
299 NFD 0.414634 0.906667
300 128 0.413793 0.752941
301 FB0 0.413534 0.761364
302 GGZ 0.413462 0.8
303 101 0.413043 0.851351
304 TM1 0.412844 0.771084
305 3AD 0.411765 0.828571
306 APC G U 0.41129 0.857143
307 K15 0.411215 0.698795
308 0WD 0.409836 0.87013
309 S8M 0.409524 0.75641
310 6K6 0.409524 0.902778
311 ALF 5GP 0.407767 0.8375
312 FDA 0.407407 0.788235
313 AIR 0.406977 0.873239
314 A U C C 0.406015 0.894737
315 NZQ 0.404959 0.858974
316 6FA 0.404412 0.817073
317 SXZ 0.40367 0.728395
318 QQY 0.402174 0.813333
319 ACK 0.402174 0.859155
320 7DD 0.402062 0.929577
321 N6P 0.401869 0.887324
322 NJP 0.401639 0.918919
323 9JJ 0.4 0.860759
324 HMG 0.4 0.790698
325 SLU 0.4 0.767442
326 KB1 0.4 0.716049
Ligand no: 2; Ligand: LFR; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU 1 1
2 SF6 1 1
3 LFR 1 1
4 PSV 1 1
5 SF9 1 1
6 F6P 0.564103 0.744186
7 TA6 0.564103 0.744186
8 FRU FRU 0.511111 0.888889
9 LBS 0.511111 0.888889
10 F1X 0.487805 0.744186
11 LRH 0.484848 0.882353
12 0UB 0.479167 0.888889
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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