Receptor
PDB id Resolution Class Description Source Keywords
1QPG 2.4 Å EC: 2.7.2.3 3-PHOSPHOGLYCERATE KINASE, MUTATION R65Q SACCHAROMYCES CEREVISIAE PHOSPHOTRANSFERASE (CARBOXYL ACCEPTOR) KINASE ACETYLATIONGLYCOLYSIS
Ref.: STRUCTURE OF THE R65Q MUTANT OF YEAST 3-PHOSPHOGLYC KINASE COMPLEXED WITH MG-AMP-PNP AND 3-PHOSPHO-D-GL BIOCHEMISTRY V. 35 4118 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3PG A:451;
 Valid;
 none;
 submit data
186.057 C3 H7 O7 P C([C@...
MAP A:450;
 Valid;
 none;
 submit data
529.493 C10 H16 Mg N6 O12 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QPG 2.4 Å EC: 2.7.2.3 3-PHOSPHOGLYCERATE KINASE, MUTATION R65Q SACCHAROMYCES CEREVISIAE PHOSPHOTRANSFERASE (CARBOXYL ACCEPTOR) KINASE ACETYLATIONGLYCOLYSIS
Ref.: STRUCTURE OF THE R65Q MUTANT OF YEAST 3-PHOSPHOGLYC KINASE COMPLEXED WITH MG-AMP-PNP AND 3-PHOSPHO-D-GL BIOCHEMISTRY V. 35 4118 1996
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1QPG - MAP C10 H16 Mg N6 O12 P3 c1nc(c2c(n....
2 3PGK - 3PG C3 H7 O7 P C([C@H](C(....
70% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1QPG - MAP C10 H16 Mg N6 O12 P3 c1nc(c2c(n....
2 3PGK - 3PG C3 H7 O7 P C([C@H](C(....
3 5O7D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 2WZC - ALF ADP 3PG n/a n/a
5 5M3U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 1HDI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
7 2XE7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3C3B - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
9 4O3F Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
10 3C3A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1KF0 Kd = 2.8 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
12 5M1R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 2ZGV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 2WZB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 1VJD Kd = 0.286 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 3C3C - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
17 5MXM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1VJC Kd = 0.263 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 2WZD - AF3 ADP 3PG n/a n/a
20 3C39 - 3PG C3 H7 O7 P C([C@H](C(....
21 2XE8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
22 2YBE - LA8 ALF 3PG n/a n/a
23 2XE6 - 3PG C3 H7 O7 P C([C@H](C(....
24 4O33 Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
25 5M6Z - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 2P9T - 3PG C3 H7 O7 P C([C@H](C(....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 13PK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 16PK - BIS C15 H22 F4 N5 O12 P3 c1nc(c2c(n....
3 1QPG - MAP C10 H16 Mg N6 O12 P3 c1nc(c2c(n....
4 3PGK - 3PG C3 H7 O7 P C([C@H](C(....
5 2CUN - 3PG C3 H7 O7 P C([C@H](C(....
6 5O7D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 2WZC - ALF ADP 3PG n/a n/a
8 5M3U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1HDI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 2XE7 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 3C3B - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
12 4O3F Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
13 3C3A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 1KF0 Kd = 2.8 mM ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
15 5M1R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 2ZGV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 2WZB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1VJD Kd = 0.286 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 3C3C - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
20 5MXM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1VJC Kd = 0.263 mM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
22 2WZD - AF3 ADP 3PG n/a n/a
23 3C39 - 3PG C3 H7 O7 P C([C@H](C(....
24 2XE8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
25 2YBE - LA8 ALF 3PG n/a n/a
26 2XE6 - 3PG C3 H7 O7 P C([C@H](C(....
27 4O33 Kd = 2.78 uM TZN C19 H25 N5 O4 COc1cc2c(c....
28 5M6Z - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 2P9T - 3PG C3 H7 O7 P C([C@H](C(....
30 6HXE - 3PG C3 H7 O7 P C([C@H](C(....
31 1VPE - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
32 1PHP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 3ZLB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3PG; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 3PG 1 1
2 DEZ 0.575758 0.941176
3 DER 0.575758 0.941176
4 SEP 0.515152 0.74359
5 4TP 0.5 0.780488
6 PA5 0.486486 0.941176
7 R10 0.486486 0.941176
8 DG2 0.485714 0.909091
9 LG6 0.461538 0.941176
10 6PG 0.461538 0.941176
11 HG3 0.451613 0.9375
12 1GP 0.4375 0.852941
13 G3P 0.4375 0.852941
14 PGA 0.433333 0.90625
15 DXP 0.432432 0.911765
16 GOS 0.424242 0.857143
17 M2P 0.424242 0.857143
18 G3H 0.411765 0.9375
19 5RP 0.410256 0.837838
20 D5X 0.410256 0.941176
21 HMS 0.410256 0.837838
22 5SP 0.410256 0.837838
23 PEQ 0.40625 0.727273
24 0V5 0.40625 0.727273
25 RUB 0.4 0.885714
26 XBP 0.4 0.885714
27 RES 0.4 0.659574
Ligand no: 2; Ligand: MAP; Similar ligands found: 324
No: Ligand ECFP6 Tc MDL keys Tc
1 MAP 1 1
2 ANP 0.752941 0.972973
3 AU1 0.73494 0.972973
4 A 0.679012 0.918919
5 AMP 0.679012 0.918919
6 A2D 0.674699 0.92
7 ADP 0.670588 0.945946
8 B4P 0.670588 0.92
9 AP5 0.670588 0.92
10 BA3 0.658824 0.92
11 M33 0.655172 0.907895
12 ABM 0.654762 0.87013
13 45A 0.654762 0.87013
14 AMP MG 0.650602 0.88
15 ATP 0.647727 0.945946
16 HEJ 0.647727 0.945946
17 AN2 0.643678 0.959459
18 AT4 0.643678 0.909091
19 AQP 0.640449 0.945946
20 APR 0.640449 0.92
21 AR6 0.640449 0.92
22 APC 0.640449 0.909091
23 5FA 0.640449 0.945946
24 A12 0.639535 0.909091
25 AP2 0.639535 0.909091
26 ADX 0.636364 0.831325
27 SRA 0.630952 0.871795
28 V2G 0.630435 0.875
29 ACP 0.629214 0.921053
30 ADP BEF 0.625 0.893333
31 ADP MG 0.625 0.893333
32 TAT 0.619565 0.909091
33 T99 0.619565 0.909091
34 ACQ 0.619565 0.921053
35 CA0 0.617977 0.896104
36 AGS 0.615385 0.897436
37 RBY 0.615385 0.884615
38 AD9 0.615385 0.946667
39 ADV 0.615385 0.884615
40 KG4 0.611111 0.896104
41 50T 0.611111 0.933333
42 ANP MG 0.606383 0.933333
43 ATF 0.606383 0.909091
44 PRX 0.604396 0.848101
45 6YZ 0.6 0.921053
46 ATP MG 0.597826 0.893333
47 APC MG 0.597826 0.87013
48 ADP PO3 0.597826 0.893333
49 BEF ADP 0.591398 0.92
50 SRP 0.583333 0.860759
51 9ZA 0.581633 0.886076
52 9ZD 0.581633 0.886076
53 9X8 0.58 0.873418
54 8LE 0.578947 0.85
55 5AL 0.578947 0.883117
56 HQG 0.57732 0.933333
57 A1R 0.575758 0.8625
58 VO4 ADP 0.572917 0.921053
59 ALF ADP 0.572917 0.85
60 SON 0.571429 0.884615
61 QA7 0.571429 0.85
62 A22 0.571429 0.933333
63 JNT 0.57 0.896104
64 3OD 0.568627 0.896104
65 GAP 0.568421 0.848101
66 8LH 0.56701 0.860759
67 5SV 0.565657 0.807229
68 OAD 0.564356 0.896104
69 LMS 0.563218 0.809524
70 AMO 0.56 0.884615
71 ADQ 0.56 0.896104
72 A3R 0.56 0.8625
73 8LQ 0.555556 0.860759
74 AHX 0.554455 0.875
75 DLL 0.554455 0.883117
76 NB8 0.553398 0.875
77 BIS 0.553398 0.886076
78 OOB 0.55 0.883117
79 OZV 0.55 0.92
80 25A 0.55 0.92
81 8QN 0.55 0.883117
82 5CD 0.548781 0.763158
83 25L 0.548077 0.933333
84 G5P 0.546296 0.875
85 4AD 0.544554 0.873418
86 PAJ 0.544554 0.841463
87 LAD 0.543689 0.819277
88 5AS 0.543478 0.764045
89 GTA 0.541284 0.843373
90 DAL AMP 0.54 0.858974
91 00A 0.539216 0.839506
92 ME8 0.538462 0.8
93 1ZZ 0.538462 0.8
94 TXA 0.538462 0.884615
95 G3A 0.537037 0.875
96 ADP BMA 0.533981 0.871795
97 3UK 0.533981 0.871795
98 AOC 0.533333 0.779221
99 4UU 0.53211 0.85
100 XYA 0.530864 0.8
101 ADN 0.530864 0.8
102 RAB 0.530864 0.8
103 PR8 0.528846 0.809524
104 B5V 0.528846 0.860759
105 WAQ 0.528846 0.839506
106 4UV 0.527778 0.85
107 FYA 0.52381 0.858974
108 PTJ 0.52381 0.851852
109 FA5 0.523364 0.860759
110 KMQ 0.523364 0.884615
111 MYR AMP 0.518868 0.77907
112 XAH 0.518519 0.821429
113 5N5 0.518072 0.776316
114 PAP 0.515464 0.932432
115 9SN 0.514019 0.829268
116 AMP DBH 0.513761 0.848101
117 UP5 0.513274 0.873418
118 A4D 0.511905 0.776316
119 H1Q 0.510417 0.881579
120 G5A 0.510204 0.764045
121 A5A 0.51 0.790698
122 JB6 0.509434 0.839506
123 B5M 0.509259 0.85
124 B5Y 0.509259 0.85
125 ATP A 0.509259 0.881579
126 ATP A A A 0.509259 0.881579
127 3DH 0.505618 0.734177
128 AFH 0.504505 0.841463
129 GA7 0.504505 0.860759
130 7MD 0.504505 0.843373
131 YLP 0.504425 0.781609
132 AP0 0.504348 0.851852
133 A3P 0.5 0.918919
134 DQV 0.5 0.907895
135 3AM 0.5 0.88
136 TAD 0.5 0.841463
137 MTA 0.5 0.734177
138 A4P 0.5 0.804598
139 4UW 0.5 0.819277
140 OMR 0.495652 0.811765
141 AHZ 0.495575 0.77907
142 TSB 0.495146 0.802326
143 J7C 0.494624 0.731707
144 7D5 0.494382 0.833333
145 EP4 0.494253 0.716049
146 T5A 0.491525 0.802326
147 YLC 0.491379 0.8
148 YLB 0.491379 0.781609
149 4TC 0.491379 0.851852
150 7MC 0.491379 0.823529
151 48N 0.491228 0.851852
152 ARG AMP 0.491071 0.790698
153 AR6 AR6 0.491071 0.87013
154 SSA 0.490196 0.784091
155 2A5 0.489796 0.871795
156 7D3 0.489362 0.858974
157 6RE 0.48913 0.722892
158 DTA 0.488636 0.746835
159 M2T 0.488636 0.698795
160 TXD 0.486957 0.8625
161 6V0 0.486957 0.851852
162 DND 0.486957 0.884615
163 NAI 0.486957 0.8625
164 NAX 0.486957 0.831325
165 VMS 0.485437 0.772727
166 52H 0.485437 0.764045
167 54H 0.485437 0.772727
168 PPS 0.485149 0.831325
169 ATR 0.484848 0.918919
170 7D4 0.484536 0.858974
171 ITT 0.484536 0.893333
172 A2P 0.484211 0.905405
173 IOT 0.483051 0.793103
174 TYM 0.482759 0.860759
175 TXE 0.482759 0.8625
176 LAQ 0.482456 0.8
177 5CA 0.480769 0.784091
178 53H 0.480769 0.764045
179 8X1 0.480769 0.73913
180 BTX 0.479339 0.802326
181 139 0.478992 0.831325
182 ADJ 0.478992 0.811765
183 YLA 0.478992 0.781609
184 A3N 0.478723 0.746835
185 L3W 0.478632 0.884615
186 UPA 0.478632 0.8625
187 YSA 0.477477 0.764045
188 BT5 0.47541 0.793103
189 AYB 0.475 0.772727
190 6MZ 0.473684 0.881579
191 P5A 0.472222 0.731183
192 NSS 0.471698 0.784091
193 DSZ 0.471698 0.784091
194 LSS 0.471698 0.747253
195 A2R 0.471154 0.933333
196 F2R 0.471074 0.823529
197 ALF ADP 3PG 0.470085 0.819277
198 AF3 ADP 3PG 0.470085 0.819277
199 NVA LMS 0.46729 0.73913
200 COD 0.467213 0.775281
201 NAD TDB 0.466102 0.87013
202 NAD IBO 0.466102 0.87013
203 LPA AMP 0.465517 0.77907
204 O02 0.465347 0.898734
205 IMO 0.463158 0.88
206 CNA 0.46281 0.884615
207 ZAS 0.462366 0.772152
208 V3L 0.460784 0.92
209 YLY 0.460317 0.772727
210 A3D 0.459677 0.871795
211 GSU 0.458716 0.764045
212 KAA 0.458716 0.73913
213 S4M 0.458333 0.637363
214 GJV 0.458333 0.714286
215 2AM 0.456522 0.893333
216 6AD 0.456311 0.864198
217 4TA 0.455285 0.770115
218 NAD 0.455285 0.883117
219 9K8 0.454545 0.684211
220 MAO 0.453608 0.744186
221 DSH 0.452632 0.690476
222 5AD 0.452381 0.706667
223 B1U 0.451327 0.741935
224 JSQ 0.45098 0.897436
225 HFD 0.45098 0.897436
226 5X8 0.45 0.725
227 LEU LMS 0.449541 0.717391
228 80F 0.448 0.802326
229 NAE 0.445312 0.85
230 AMP NAD 0.443548 0.858974
231 7C5 0.443478 0.777778
232 NO7 0.443396 0.884615
233 NWW 0.443182 0.72
234 8PZ 0.442478 0.784091
235 DZ4 0.442308 0.884615
236 OVE 0.442105 0.858974
237 MHZ 0.44 0.685393
238 DZD 0.44 0.841463
239 GNP 0.439252 0.898734
240 9GM 0.439252 0.898734
241 38V 0.438462 0.843373
242 N0B 0.438462 0.781609
243 AV2 0.438095 0.894737
244 NEC 0.4375 0.708861
245 A3G 0.4375 0.759494
246 6C6 0.436893 0.8375
247 SAI 0.436893 0.719512
248 NA7 0.436364 0.909091
249 CUU 0.435644 0.92
250 SFG 0.435644 0.7125
251 D4F 0.434109 0.8
252 FB0 0.433824 0.769231
253 WSA 0.433333 0.772727
254 NAJ PZO 0.433071 0.829268
255 3AT 0.432692 0.92
256 6IA 0.432692 0.797619
257 J4G 0.432432 0.873418
258 R2V 0.432432 0.770115
259 EAD 0.431818 0.831325
260 NAJ PYZ 0.430769 0.790698
261 NAQ 0.430769 0.829268
262 7D7 0.430233 0.705128
263 A7D 0.43 0.7375
264 SFD 0.428571 0.721649
265 EEM 0.428571 0.678161
266 FDA 0.427536 0.795455
267 ZID 0.427481 0.871795
268 ARU 0.427273 0.819277
269 A5D 0.427184 0.746835
270 SA8 0.427184 0.674419
271 M24 0.426357 0.831325
272 NWQ 0.425532 0.701299
273 2SA 0.424528 0.884615
274 71V 0.424242 0.8625
275 Z5A 0.424242 0.784091
276 4YB 0.423729 0.747253
277 PO4 PO4 A A A A PO4 0.423423 0.855263
278 SAH 0.423077 0.707317
279 N5O 0.42268 0.725
280 AVV 0.422018 0.851852
281 QXP 0.422018 0.770115
282 DAT 0.421569 0.858974
283 649 0.421488 0.731183
284 S7M 0.420561 0.659091
285 SMM 0.420561 0.655556
286 V47 0.420561 0.74359
287 P1H 0.419118 0.811765
288 DTP 0.419048 0.858974
289 SAM 0.419048 0.659091
290 FAS 0.41844 0.811765
291 FAD 0.41844 0.811765
292 K3K 0.417391 0.7625
293 KOY 0.416667 0.7625
294 A3S 0.415842 0.769231
295 Y3J 0.41573 0.688312
296 6FA 0.414286 0.802326
297 N5A 0.414141 0.7
298 LQJ 0.413793 0.87013
299 NDC 0.413043 0.829268
300 GGZ 0.412844 0.785714
301 NJP 0.412698 0.897436
302 101 0.412371 0.833333
303 PGS 0.411765 0.839506
304 SLU 0.410853 0.755556
305 QXG 0.410714 0.761364
306 K3E 0.410256 0.753086
307 6K6 0.409091 0.881579
308 NDE 0.408759 0.884615
309 DA 0.408163 0.833333
310 D5M 0.408163 0.833333
311 A3T 0.407767 0.779221
312 FNK 0.406897 0.769231
313 AIR 0.406593 0.853333
314 8Q2 0.406504 0.758242
315 NIA 0.40625 0.82716
316 0UM 0.405405 0.666667
317 AAM 0.40404 0.918919
318 AAT 0.401869 0.674419
319 N6P 0.401786 0.866667
320 C2R 0.4 0.857143
321 AMZ 0.4 0.868421
322 TM1 0.4 0.77907
323 PLP AAD 0.4 0.72043
324 KY2 0.4 0.697674
Similar Ligands (3D)
Ligand no: 1; Ligand: 3PG; Similar ligands found: 859
No: Ligand Similarity coefficient
1 OSE 0.9871
2 HPV 0.9809
3 GPJ 0.9759
4 13P 0.9735
5 MSL 0.9693
6 AKG 0.9684
7 PGH 0.9681
8 GP9 0.9674
9 GPF 0.9673
10 LTL 0.9653
11 2PG 0.9635
12 E4P 0.9626
13 CYX 0.9622
14 QMP 0.9618
15 OGA 0.9601
16 CHH 0.9598
17 CCE 0.9583
18 ZGL 0.9554
19 PSE 0.9551
20 ACH 0.9550
21 CCD 0.9547
22 2HG 0.9544
23 S2G 0.9543
24 AT3 0.9541
25 129 0.9541
26 DGN 0.9528
27 7OD 0.9528
28 PMF 0.9520
29 GLU 0.9519
30 LUQ 0.9518
31 DGL 0.9511
32 4LR 0.9508
33 GVM 0.9506
34 GLN 0.9504
35 IP8 0.9494
36 152 0.9481
37 PEP 0.9478
38 NM2 0.9475
39 2IT 0.9474
40 9ON 0.9471
41 2JJ 0.9470
42 MHO 0.9468
43 DS0 0.9467
44 1SA 0.9457
45 3S5 0.9442
46 3LR 0.9440
47 URQ 0.9421
48 1X4 0.9420
49 SME 0.9408
50 KPA 0.9402
51 SYC 0.9401
52 PPR 0.9401
53 PC 0.9399
54 B85 0.9397
55 ONL 0.9393
56 GZ3 0.9393
57 MES 0.9388
58 NM3 0.9384
59 RNT 0.9382
60 GGL 0.9379
61 TPO 0.9366
62 RTK 0.9364
63 HPS 0.9347
64 TSU 0.9342
65 HBU 0.9341
66 G2H 0.9340
67 XSP 0.9338
68 QFJ 0.9336
69 4NG 0.9334
70 2FT 0.9334
71 3SL 0.9333
72 O45 0.9331
73 1SH 0.9326
74 AMS 0.9319
75 GUA 0.9318
76 TIH 0.9312
77 F98 0.9309
78 DLY 0.9308
79 LFC 0.9307
80 DHI 0.9299
81 HHI 0.9299
82 NSB 0.9297
83 KDG 0.9295
84 SG3 0.9294
85 SPV 0.9294
86 FOM 0.9293
87 HIS 0.9291
88 KMH 0.9286
89 DYT 0.9276
90 5XB 0.9273
91 URO 0.9273
92 DAL DAL 0.9270
93 MLE 0.9268
94 SAN 0.9264
95 P22 0.9262
96 8GL 0.9259
97 HFA 0.9256
98 DIR 0.9252
99 NFA 0.9246
100 B40 0.9245
101 7C3 0.9243
102 0VT 0.9242
103 RUJ 0.9239
104 DPN 0.9238
105 PAC 0.9230
106 RAT 0.9228
107 KPC 0.9226
108 4J8 0.9224
109 5OY 0.9224
110 9GB 0.9224
111 KVV 0.9223
112 SHI 0.9223
113 DHM 0.9221
114 PHE 0.9218
115 GWM 0.9216
116 PMB 0.9212
117 4SX 0.9210
118 HF2 0.9208
119 Q9Z 0.9207
120 MAJ 0.9207
121 FBS 0.9205
122 URP 0.9204
123 8U3 0.9203
124 GLY GLY 0.9201
125 HGA 0.9199
126 ALA ALA 0.9195
127 11C 0.9192
128 AAS 0.9191
129 4FH 0.9190
130 S2P 0.9189
131 6JN 0.9187
132 XXG 0.9186
133 MF3 0.9185
134 3YP 0.9183
135 KVP 0.9182
136 BEZ 0.9181
137 SSC 0.9179
138 9YT 0.9177
139 51R 0.9177
140 4WL 0.9173
141 FBW 0.9165
142 TAR 0.9162
143 AOS 0.9161
144 SYM 0.9160
145 NF3 0.9160
146 XIZ 0.9160
147 RP3 0.9157
148 EKZ 0.9157
149 R67 0.9155
150 B3U 0.9155
151 PO6 0.9155
152 OKG 0.9153
153 MUC 0.9151
154 HSO 0.9150
155 CCU 0.9150
156 NLE 0.9148
157 DZA 0.9147
158 7N0 0.9147
159 IZC 0.9147
160 9J3 0.9146
161 LYN 0.9146
162 UN1 0.9143
163 FB2 0.9141
164 2AS 0.9140
165 RNS 0.9139
166 EVF 0.9139
167 OEG 0.9139
168 AL0 0.9136
169 PBC 0.9135
170 MZT 0.9134
171 FK8 0.9134
172 7BC 0.9132
173 LYS 0.9132
174 TCA 0.9131
175 PCA 0.9129
176 DXG 0.9128
177 FCR 0.9128
178 TLA 0.9128
179 X1S 0.9126
180 4NC 0.9125
181 93K 0.9123
182 3HG 0.9121
183 SRT 0.9119
184 DHB 0.9119
185 9X6 0.9118
186 DAS 0.9112
187 PZI 0.9110
188 QY9 0.9110
189 HIC 0.9110
190 GLO 0.9109
191 MEQ 0.9109
192 36E 0.9108
193 HCI 0.9108
194 SD4 0.9107
195 HL5 0.9106
196 R2P 0.9102
197 BEN 0.9101
198 ORN 0.9100
199 0L1 0.9099
200 4HP 0.9098
201 OVV 0.9097
202 8K2 0.9097
203 OHP 0.9096
204 CS2 0.9093
205 3OC 0.9092
206 CFI 0.9091
207 GAB 0.9091
208 GJZ 0.9090
209 ASP 0.9088
210 MET 0.9088
211 LX1 0.9087
212 3HB 0.9087
213 X0V 0.9085
214 MYJ 0.9085
215 AFS 0.9083
216 K7M 0.9082
217 R9S 0.9082
218 MLT 0.9081
219 4P5 0.9080
220 3PP 0.9079
221 CXP 0.9079
222 GCO 0.9078
223 FOC 0.9078
224 XYL 0.9076
225 RB5 0.9076
226 RB0 0.9076
227 INO 0.9076
228 4LW 0.9073
229 MED 0.9073
230 S8V 0.9072
231 MAH 0.9071
232 M45 0.9071
233 ASN 0.9071
234 BAM 0.9069
235 ESX 0.9068
236 7UC 0.9068
237 LEU 0.9067
238 TPA 0.9064
239 M4S 0.9063
240 2HO 0.9063
241 OOG 0.9061
242 ESP 0.9060
243 A3M 0.9060
244 RBL 0.9059
245 ISZ 0.9059
246 K5W 0.9058
247 FB1 0.9057
248 DAR 0.9057
249 8EW 0.9057
250 R9M 0.9053
251 PSJ 0.9053
252 4ZA 0.9053
253 EOU 0.9052
254 3QM 0.9051
255 SJ5 0.9050
256 AOT 0.9050
257 MHN 0.9049
258 P9P 0.9049
259 PPY 0.9048
260 PHU 0.9045
261 ASC 0.9045
262 XCZ 0.9044
263 BHU 0.9044
264 ACA 0.9043
265 6PC 0.9043
266 PAH 0.9042
267 M4T 0.9042
268 NCA 0.9042
269 9RW 0.9039
270 Q02 0.9039
271 QSB 0.9036
272 J0Z 0.9035
273 HPN 0.9033
274 CRN 0.9032
275 3NT 0.9032
276 MTL 0.9031
277 N4B 0.9029
278 SAF 0.9027
279 1AE 0.9026
280 268 0.9026
281 NIO 0.9026
282 PAB 0.9025
283 NYL 0.9025
284 98J 0.9025
285 PIY 0.9024
286 NPO 0.9024
287 RSO 0.9024
288 IOM 0.9023
289 ONH 0.9022
290 LMR 0.9021
291 TYL 0.9019
292 URS 0.9019
293 I38 0.9017
294 BHO 0.9017
295 53C 0.9016
296 SPA 0.9016
297 41K 0.9016
298 K6V 0.9016
299 IXW 0.9014
300 CHB 0.9014
301 2D8 0.9012
302 BNF 0.9011
303 173 0.9011
304 DCO 0.9011
305 FM4 0.9010
306 SMN 0.9010
307 2O6 0.9009
308 AEG 0.9009
309 AHN 0.9009
310 TIU 0.9008
311 3FH 0.9007
312 HYP 0.9006
313 8OZ 0.9005
314 OAA 0.9004
315 4LV 0.9004
316 OEM 0.9002
317 OAF 0.9002
318 RMN 0.9002
319 J9N 0.9001
320 I4B 0.9001
321 M74 0.8998
322 ROR 0.8998
323 HSX 0.8998
324 SOR 0.8997
325 ITN 0.8997
326 PHB 0.8995
327 5LD 0.8994
328 UNU 0.8991
329 HY1 0.8991
330 MSR 0.8991
331 KMT 0.8991
332 JAW 0.8987
333 FBM 0.8987
334 2HC 0.8986
335 HX4 0.8985
336 PRA 0.8985
337 5WZ 0.8984
338 P7Y 0.8983
339 PIM 0.8983
340 A5E 0.8983
341 ARG 0.8981
342 SKG 0.8981
343 SHV 0.8978
344 SDD 0.8978
345 EDR 0.8978
346 P80 0.8977
347 AHB 0.8977
348 TEO 0.8976
349 Q07 0.8976
350 NCT 0.8975
351 AG2 0.8973
352 AC6 0.8973
353 BHH 0.8972
354 DHS 0.8972
355 F9P 0.8971
356 ORO 0.8967
357 49F 0.8965
358 6FZ 0.8964
359 IHB 0.8964
360 3AB 0.8964
361 9TW 0.8964
362 449 0.8963
363 IVL 0.8961
364 2BX 0.8960
365 9SE 0.8960
366 Q03 0.8960
367 0HN 0.8960
368 XX2 0.8958
369 1F1 0.8958
370 GLR 0.8957
371 HJH 0.8957
372 4CS 0.8956
373 DBH 0.8956
374 GZL 0.8955
375 OK7 0.8954
376 ICB 0.8953
377 LNO 0.8952
378 6NT 0.8950
379 AMQ 0.8950
380 2ZM 0.8950
381 J9T 0.8948
382 SNU 0.8945
383 QDK 0.8945
384 3BU 0.8943
385 7WG 0.8942
386 4MA 0.8942
387 6TZ 0.8941
388 IFP 0.8941
389 SS1 0.8941
390 ILO 0.8940
391 GRF 0.8939
392 NIZ 0.8939
393 DE5 0.8938
394 LPK 0.8938
395 GRO 0.8938
396 BL0 0.8937
397 P72 0.8936
398 TZP 0.8934
399 F4E 0.8934
400 ABF 0.8933
401 650 0.8933
402 6NI 0.8932
403 DOR 0.8931
404 LLQ 0.8931
405 CMS 0.8930
406 5DL 0.8929
407 YCP 0.8928
408 COI 0.8927
409 DHY 0.8926
410 QUS 0.8926
411 RP5 0.8925
412 2CO 0.8925
413 P58 0.8925
414 BZ2 0.8924
415 R20 0.8924
416 E79 0.8924
417 PBA 0.8923
418 5NI 0.8922
419 C5A 0.8920
420 1FD 0.8919
421 HIO 0.8919
422 JDN 0.8918
423 L14 0.8917
424 MJ2 0.8917
425 OMD 0.8916
426 L5V 0.8915
427 BNL 0.8915
428 HHH 0.8915
429 3C4 0.8915
430 KTA 0.8915
431 SOL 0.8915
432 XUL 0.8914
433 0OC 0.8914
434 CPZ 0.8913
435 4TB 0.8913
436 S7A 0.8913
437 APG 0.8912
438 PBZ 0.8912
439 M6H 0.8911
440 UFV 0.8910
441 PH3 0.8910
442 3HP 0.8910
443 MD0 0.8909
444 M58 0.8909
445 1DV 0.8908
446 PRO GLY 0.8907
447 RHU 0.8907
448 0A9 0.8904
449 EN1 0.8904
450 PLU 0.8903
451 4JC 0.8902
452 ENV 0.8901
453 DQY 0.8899
454 QSC 0.8897
455 FA1 0.8896
456 NLP 0.8895
457 2RH 0.8895
458 XRX 0.8894
459 LQ2 0.8893
460 JB8 0.8892
461 3NY 0.8892
462 LY0 0.8892
463 DII 0.8891
464 BRH 0.8891
465 P9E 0.8891
466 36Y 0.8891
467 PEL 0.8890
468 A13 0.8890
469 PHI 0.8890
470 1BN 0.8890
471 4NZ 0.8889
472 G8M 0.8889
473 FBV 0.8889
474 K6H 0.8888
475 7A8 0.8888
476 SKF 0.8888
477 MEV 0.8888
478 1L5 0.8887
479 Q04 0.8887
480 HHA 0.8887
481 1Y6 0.8885
482 SVD 0.8885
483 HDH 0.8885
484 PFF 0.8883
485 SIN 0.8883
486 A09 0.8882
487 OCA 0.8881
488 HPP 0.8881
489 CIZ 0.8880
490 TYR 0.8879
491 DTY 0.8879
492 TAG 0.8878
493 TYE 0.8878
494 AZM 0.8878
495 LR5 0.8877
496 IAC 0.8876
497 TZF 0.8874
498 6OT 0.8873
499 LVD 0.8873
500 FBU 0.8872
501 K34 0.8871
502 HQJ 0.8871
503 JYD 0.8871
504 258 0.8871
505 HL4 0.8871
506 Z82 0.8870
507 ANN 0.8870
508 IOS 0.8870
509 8SZ 0.8870
510 HDL 0.8870
511 LLH 0.8869
512 FBF 0.8868
513 61M 0.8868
514 PNZ 0.8868
515 3MV 0.8866
516 N9J 0.8866
517 UGC 0.8865
518 GOJ 0.8864
519 3BZ 0.8864
520 3AE 0.8863
521 L99 0.8863
522 CXF 0.8862
523 5FX 0.8862
524 88L 0.8862
525 GLL 0.8860
526 DBX 0.8860
527 FAN 0.8860
528 GYE 0.8859
529 911 0.8858
530 GLY ALA 0.8857
531 DI6 0.8857
532 EHM 0.8856
533 MP5 0.8855
534 HBD 0.8855
535 BTM 0.8852
536 069 0.8851
537 LT2 0.8849
538 PAF 0.8848
539 Q06 0.8847
540 IWT 0.8847
541 ASO 0.8846
542 F06 0.8846
543 KBZ 0.8846
544 CIR 0.8845
545 40E 0.8845
546 D1X 0.8845
547 BNS 0.8844
548 SKM 0.8842
549 3A9 0.8841
550 X1R 0.8841
551 FUD 0.8840
552 YZM 0.8840
553 2AL 0.8840
554 1P3 0.8840
555 4NB 0.8839
556 CLT 0.8839
557 PPT 0.8839
558 3PO 0.8839
559 MPV 0.8837
560 LSQ 0.8837
561 SS2 0.8837
562 3PF 0.8836
563 KOJ 0.8836
564 S7J 0.8836
565 OTR 0.8836
566 4PN 0.8835
567 GGB 0.8835
568 SNE 0.8834
569 0BP 0.8834
570 DLT 0.8834
571 M3H 0.8832
572 LNR 0.8832
573 GVG 0.8832
574 HC4 0.8831
575 E5X 0.8831
576 XM0 0.8830
577 PIS 0.8830
578 ABI 0.8828
579 A29 0.8827
580 NNO 0.8826
581 6DP 0.8826
582 NXA 0.8825
583 KBB 0.8823
584 3CR 0.8823
585 XLS 0.8822
586 0HO 0.8821
587 GDE 0.8821
588 FQI 0.8820
589 4A3 0.8817
590 2F6 0.8816
591 ISA 0.8815
592 97T 0.8815
593 HYA 0.8813
594 LGT 0.8811
595 C1M 0.8811
596 1DJ 0.8810
597 KPL 0.8809
598 MSE 0.8808
599 TX4 0.8808
600 RJY 0.8806
601 OXC 0.8806
602 SHO 0.8805
603 XXP 0.8805
604 NMJ 0.8804
605 J9Q 0.8804
606 EXD 0.8804
607 DMV 0.8802
608 PEA 0.8801
609 7VP 0.8796
610 SW7 0.8794
611 FHB 0.8794
612 8WO 0.8793
613 ISD 0.8791
614 6NA 0.8790
615 SOE 0.8788
616 MDN 0.8787
617 ALE 0.8787
618 AM4 0.8786
619 CNL 0.8786
620 9RH 0.8786
621 HNK 0.8785
622 WCE 0.8785
623 DHK 0.8784
624 MVH 0.8784
625 P81 0.8783
626 JF6 0.8782
627 MAE 0.8780
628 271 0.8779
629 AMH 0.8779
630 HTX 0.8779
631 API 0.8778
632 POP 0.8777
633 PPV 0.8776
634 KYN 0.8775
635 6LW 0.8775
636 263 0.8774
637 2HU 0.8774
638 TEG 0.8771
639 YRL 0.8770
640 FV1 0.8769
641 AHC 0.8768
642 FSG 0.8767
643 LAO 0.8767
644 PG0 0.8767
645 UA5 0.8764
646 MXN 0.8764
647 FUM 0.8763
648 PEZ 0.8762
649 3HM 0.8761
650 S0W 0.8760
651 4CM 0.8759
652 6M4 0.8759
653 SC2 0.8758
654 ICF 0.8758
655 52C 0.8758
656 3V4 0.8758
657 2PN 0.8757
658 AEF 0.8756
659 CH9 0.8755
660 XDK 0.8754
661 23J 0.8753
662 VKC 0.8752
663 YOF 0.8752
664 AHR 0.8750
665 DA4 0.8749
666 ZXD 0.8749
667 BPN 0.8748
668 XYH 0.8746
669 X8Z 0.8744
670 92K 0.8741
671 S24 0.8741
672 JLZ 0.8741
673 DAV 0.8740
674 0CG 0.8738
675 4MV 0.8737
676 ENO 0.8736
677 TZE 0.8735
678 2LP 0.8735
679 QIC 0.8735
680 GBN 0.8734
681 826 0.8733
682 Y4L 0.8732
683 TMH 0.8732
684 LDP 0.8731
685 X1P 0.8731
686 N8P 0.8730
687 ILE 0.8730
688 CIT 0.8729
689 5LA 0.8729
690 I1E 0.8728
691 JRB 0.8724
692 Z13 0.8723
693 CFA 0.8723
694 KDF 0.8722
695 HA5 0.8721
696 VGL 0.8721
697 HQ9 0.8720
698 RLG 0.8717
699 HNL 0.8717
700 FEH 0.8717
701 PCT 0.8716
702 4V2 0.8715
703 54D 0.8714
704 YPN 0.8714
705 ZBT 0.8712
706 RBJ 0.8711
707 E0O 0.8711
708 4BZ 0.8710
709 HX2 0.8707
710 SNO 0.8707
711 SN4 0.8706
712 CDV 0.8706
713 STT 0.8705
714 16D 0.8705
715 717 0.8704
716 7MU 0.8703
717 SHF 0.8702
718 92G 0.8701
719 4FA 0.8701
720 FHC 0.8701
721 AVI 0.8698
722 L22 0.8698
723 A5P 0.8697
724 MT2 0.8697
725 3AL 0.8696
726 56D 0.8696
727 XRG 0.8695
728 RNO 0.8695
729 9FE 0.8694
730 505 0.8693
731 RUY 0.8692
732 1LN 0.8692
733 RIB 0.8689
734 PJL 0.8689
735 8GC 0.8688
736 KTW 0.8688
737 HDA 0.8687
738 MZM 0.8685
739 5HN 0.8682
740 PG3 0.8682
741 H95 0.8681
742 FLC 0.8680
743 2EH 0.8679
744 FP1 0.8677
745 PKU 0.8675
746 DHC 0.8675
747 ESI 0.8672
748 NK1 0.8670
749 BDF 0.8668
750 FBJ 0.8667
751 F31 0.8667
752 OVM 0.8666
753 2NP 0.8664
754 1PS 0.8664
755 1A7 0.8663
756 9BF 0.8663
757 LCN 0.8663
758 4XV 0.8663
759 2BG 0.8661
760 4NM 0.8660
761 EYK 0.8658
762 4RW 0.8657
763 DMJ 0.8657
764 EUE 0.8656
765 GO2 0.8655
766 PD2 0.8655
767 TZM 0.8650
768 THE 0.8650
769 XBT 0.8650
770 UY7 0.8650
771 ZZU 0.8649
772 4P0 0.8649
773 HZP 0.8649
774 GTK 0.8648
775 174 0.8646
776 EYV 0.8645
777 TT4 0.8645
778 HSE 0.8645
779 PTO 0.8643
780 DX5 0.8642
781 CXH 0.8641
782 5XC 0.8641
783 MNN 0.8640
784 FCN 0.8638
785 M44 0.8637
786 PDC 0.8637
787 0JD 0.8636
788 JZ7 0.8636
789 S0E 0.8635
790 1WC 0.8635
791 F12 0.8634
792 1M2 0.8634
793 AI2 0.8633
794 DHR 0.8633
795 HSM 0.8632
796 TZL 0.8629
797 PJW 0.8629
798 791 0.8628
799 BZ3 0.8628
800 TNE 0.8624
801 40F 0.8623
802 GVY 0.8623
803 3ID 0.8622
804 XYS 0.8622
805 NMG 0.8621
806 OPE 0.8620
807 N2Z 0.8619
808 264 0.8617
809 FAC 0.8617
810 BSX 0.8617
811 1Z6 0.8613
812 MAN 0.8610
813 IT9 0.8610
814 OXZ 0.8604
815 UYA 0.8600
816 JFJ 0.8598
817 C82 0.8597
818 15N 0.8597
819 AC0 0.8594
820 KNA 0.8594
821 DCL 0.8593
822 3MB 0.8593
823 RIP 0.8592
824 RUU 0.8591
825 1XA 0.8590
826 H42 0.8590
827 DDU 0.8589
828 M6W 0.8589
829 0W1 0.8585
830 261 0.8584
831 F4K 0.8582
832 BVA 0.8581
833 AX3 0.8581
834 IFL 0.8579
835 CEE 0.8578
836 3IT 0.8577
837 M5E 0.8575
838 7VD 0.8574
839 JZ4 0.8573
840 0MK 0.8573
841 GXL 0.8572
842 A9P 0.8572
843 428 0.8569
844 I3E 0.8564
845 TB6 0.8563
846 3ZB 0.8560
847 6KT 0.8559
848 6CS 0.8559
849 PRZ 0.8558
850 ONR 0.8551
851 259 0.8547
852 XQI 0.8546
853 GG6 0.8542
854 UNJ 0.8536
855 BRT 0.8533
856 9X7 0.8525
857 4HM 0.8513
858 46P 0.8507
859 DQA 0.8506
Ligand no: 2; Ligand: MAP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QPG; Ligand: MAP; 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: 1qpg.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1QPG; Ligand: 3PG; 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: 1qpg.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback