Receptor
PDB id Resolution Class Description Source Keywords
3HQP 2.3 Å EC: 2.7.1.40 CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA PYRUVATE KINASE (LM COMPLEX WITH ATP, OXALATE AND FRUCTOSE 2,6 BISPHOSPHATE LEISHMANIA MEXICANA TIM BARREL T-STATE ENZYME ALLOSTERIC ENZYME GLYCOLYSIS KMAGNESIUM METAL-BINDING PYRUVATE TRANSFERASE
Ref.: THE ALLOSTERIC MECHANISM OF PRYUVATE KINASE FROM LE MEXICANA: A ROCK AND LOCK MODEL J.BIOL.CHEM. V. 285 12892 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:1001;
B:1001;
C:1001;
D:1001;
E:1001;
F:1001;
G:1001;
H:1001;
I:1001;
J:1001;
K:1001;
L:1001;
M:1001;
N:1001;
P:1001;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
FDP A:700;
B:700;
C:700;
D:700;
E:700;
F:700;
G:700;
H:700;
I:700;
J:700;
K:700;
L:700;
M:700;
N:700;
O:700;
P:700;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
340.116 C6 H14 O12 P2 C([C@...
GOL E:499;
G:499;
I:499;
I:501;
J:499;
O:499;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
K A:499;
A:504;
B:499;
B:504;
C:499;
C:504;
D:499;
D:504;
E:501;
E:504;
F:499;
F:504;
G:501;
G:504;
H:499;
H:504;
I:503;
I:504;
J:501;
J:504;
K:499;
K:504;
L:499;
L:504;
M:499;
M:504;
N:499;
N:504;
O:500;
O:501;
P:499;
P:504;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
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submit data
39.098 K [K+]
MG A:500;
A:502;
B:500;
B:502;
C:500;
C:502;
D:500;
D:502;
E:500;
E:502;
F:500;
F:502;
G:500;
G:502;
H:500;
H:502;
I:500;
I:502;
J:500;
J:502;
K:500;
K:502;
L:500;
L:502;
M:500;
M:502;
N:500;
N:502;
P:500;
P:502;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
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none;
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submit data
24.305 Mg [Mg+2...
OXL A:510;
B:510;
C:510;
D:510;
E:510;
F:510;
G:510;
H:510;
I:510;
J:510;
K:510;
L:510;
M:510;
N:510;
P:510;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
88.019 C2 O4 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HQP 2.3 Å EC: 2.7.1.40 CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA PYRUVATE KINASE (LM COMPLEX WITH ATP, OXALATE AND FRUCTOSE 2,6 BISPHOSPHATE LEISHMANIA MEXICANA TIM BARREL T-STATE ENZYME ALLOSTERIC ENZYME GLYCOLYSIS KMAGNESIUM METAL-BINDING PYRUVATE TRANSFERASE
Ref.: THE ALLOSTERIC MECHANISM OF PRYUVATE KINASE FROM LE MEXICANA: A ROCK AND LOCK MODEL J.BIOL.CHEM. V. 285 12892 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3HQP - FDP C6 H14 O12 P2 C([C@@H]1[....
2 3QV8 - S62 C7 H5 N O6 S3 c1cc2c(cc1....
3 3PP7 - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3QV9 - QV7 C22 H16 N4 O13 S4 c1cc(ccc1/....
2 3HQP - FDP C6 H14 O12 P2 C([C@@H]1[....
3 3QV8 - S62 C7 H5 N O6 S3 c1cc2c(cc1....
4 3PP7 - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
5 4KCV - FDP C6 H14 O12 P2 C([C@@H]1[....
6 4KCT - PYR C3 H4 O3 CC(=O)C(=O....
7 4HYW - FDP C6 H14 O12 P2 C([C@@H]1[....
8 4KCU - MLT C4 H6 O5 C([C@H](C(....
9 4HYV - PEP C3 H5 O6 P C=C(C(=O)O....
10 4KCW - OXL C2 O4 C(=O)(C(=O....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3BJF - FBP C6 H14 O12 P2 C([C@@H]1[....
2 4QG8 - MLI C3 H2 O4 C(C(=O)[O-....
3 4JPG - 1OX C16 H12 N4 O c1ccc2c(c1....
4 4G1N - NZT C24 H22 N6 O3 S c1cc2cccnc....
5 1A49 - OXL C2 O4 C(=O)(C(=O....
6 2G50 - PYR C3 H4 O3 CC(=O)C(=O....
7 5X1V - FBP C6 H14 O12 P2 C([C@@H]1[....
8 3N25 - PRO C5 H9 N O2 C1C[C@H](N....
9 1A5U - OXL C2 O4 C(=O)(C(=O....
10 3QV9 - QV7 C22 H16 N4 O13 S4 c1cc(ccc1/....
11 3HQP - FDP C6 H14 O12 P2 C([C@@H]1[....
12 3QV8 - S62 C7 H5 N O6 S3 c1cc2c(cc1....
13 3PP7 - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
14 4IP7 - FBP C6 H14 O12 P2 C([C@@H]1[....
15 4IMA - FLC C6 H5 O7 C(C(=O)[O-....
16 4KCV - FDP C6 H14 O12 P2 C([C@@H]1[....
17 4KCT - PYR C3 H4 O3 CC(=O)C(=O....
18 4HYW - FDP C6 H14 O12 P2 C([C@@H]1[....
19 4KCU - MLT C4 H6 O5 C([C@H](C(....
20 4HYV - PEP C3 H5 O6 P C=C(C(=O)O....
21 4KCW - OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Ligand no: 2; Ligand: FDP; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 FDP 1 1
2 TA6 0.55102 0.954545
3 F6P 0.55102 0.954545
4 SUP 0.516129 0.913043
5 AFP 0.462963 0.954545
6 FBP 0.462963 0.954545
7 F1X 0.407407 0.954545
Ligand no: 3; Ligand: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 3hqp.bio16) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z48 A2G 0.02285 0.40279 2.31481
2 5E58 CPZ 0.03768 0.40026 2.63692
3 4IF4 BEF 0.000883 0.47843 2.88462
4 3WCS MAN NAG 0.01345 0.41246 5.11811
5 4QEK GLC 0.007041 0.406 5.64784
6 3TW1 AHN 0.01488 0.41082 5.90717
7 4U36 TNR 0.01478 0.41295 6.66667
8 1A8U BEZ 0.02248 0.40125 7.22022
9 2C5S AMP 0.01452 0.40632 8.95884
10 4M1U A2G MBG 0.006423 0.41851 10
Pocket No.: 2; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 39
This union binding pocket(no: 2) in the query (biounit: 3hqp.bio16) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VL0 NAI 0.01258 0.41674 1.71233
2 1LDN NAD 0.02102 0.41193 1.89873
3 1AG9 FMN 0.004021 0.43099 2.28571
4 3HVJ 705 0.02285 0.41645 2.71493
5 4CNG SAH 0.0179 0.41046 2.7451
6 2FXU ATP 0.04547 0.41574 3.2
7 4FZV SAM 0.01725 0.40383 3.34728
8 5KF6 FAD 0.02561 0.40977 3.40681
9 5KF6 TFB 0.02561 0.40977 3.40681
10 2B9W FAD 0.03413 0.42069 3.53774
11 1T10 F6P 0.01392 0.40548 3.60721
12 3LZW FAD 0.03828 0.43047 3.61446
13 3ZJ0 ACO 0.01903 0.40634 3.8835
14 1CZR FMN 0.003599 0.43332 4.14201
15 1TMM HHR 0.04032 0.40161 4.43038
16 1TMM APC 0.04208 0.40161 4.43038
17 1TLL FMN 0.006202 0.42895 4.60922
18 3VC3 C6P 0.02537 0.40149 4.65116
19 5IXJ THR 0.02594 0.40609 4.79798
20 4RDN 6MD 0.01278 0.40723 5.38922
21 3F6R FMN 0.005561 0.42221 5.40541
22 3VPD CIT 0.003479 0.42937 6.04982
23 3AD8 NAD 0.02254 0.41371 6.06061
24 5EOB 5QQ 0.01287 0.44078 6.26959
25 4O8A FAD 0.02152 0.41141 6.41283
26 5HJQ I3P 0.006779 0.42812 7.18085
27 1T57 FMN 0.00004738 0.43537 7.28155
28 3CH6 NAP 0.04332 0.4181 7.34266
29 5AHW CMP 0.007262 0.41664 7.48299
30 5MW4 5JU 0.0416 0.40552 7.78443
31 4RI1 ACO 0.01464 0.40562 8.60215
32 1WG8 SAM 0.01708 0.40868 9.47368
33 4JAL SAH 0.007665 0.41746 10.7784
34 2FCR FMN 0.006056 0.41835 10.9827
35 4UA3 COA 0.01841 0.40076 11.8557
36 5U5G NAP 0.02602 0.40481 12.8814
37 3LN9 FLC 0.003389 0.43096 12.9496
38 5GK9 ACO 0.02712 0.40137 14
39 4HEQ FMN 0.007419 0.41814 16.4384
Pocket No.: 3; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 39
This union binding pocket(no: 3) in the query (biounit: 3hqp.bio16) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CV2 OXL 0.0001865 0.49109 1.2024
2 1KC7 PPR 0.00008663 0.50279 1.80361
3 3RI1 3RH 0.03336 0.40514 1.91693
4 1D8C GLV 0.002822 0.41611 2.00401
5 3HF3 FMN 0.02163 0.4384 2.00573
6 4UAL 3FV 0.0155 0.40926 2.14797
7 5UR1 YY9 0.03177 0.42603 2.2508
8 3FMI KAP 0.02717 0.40765 2.39044
9 1FDJ 2FP 0.01136 0.41029 2.75482
10 4WB6 ATP 0.01213 0.4271 2.85714
11 5L95 AMP 0.01468 0.41026 2.86738
12 3MVH WFE 0.03935 0.40289 2.92398
13 4GID 0GH 0.03819 0.43697 3.09278
14 2VWT PYR 0.0004583 0.45657 3.37079
15 5KF6 TFB 0.01345 0.43151 3.40681
16 5KF6 FAD 0.01345 0.43151 3.40681
17 1JQN DCO 0.0001164 0.42658 3.40681
18 4GA6 AMP 0.009647 0.41685 3.40681
19 4P8K 38C 0.0212 0.43159 3.54167
20 4DQ2 BTX 0.01678 0.42689 3.65854
21 2XZ9 PYR 0.0001801 0.46128 3.7037
22 5FLJ QUE 0.01383 0.41992 3.76344
23 4NM5 ADP 0.03158 0.40332 3.97878
24 5JCA FAD 0.0246 0.42005 4.22535
25 1P7T PYR 0.001205 0.43268 4.40882
26 2VZ0 NAP 0.04869 0.42066 4.47761
27 2VZ0 D64 0.04869 0.42066 4.47761
28 2V5K OXM 0.00008266 0.50203 4.60922
29 4FFG LBS 0.004741 0.4086 4.6748
30 1UNH IXM 0.007872 0.42485 5.82192
31 4O8A FAD 0.01321 0.42965 6.41283
32 1IZC PYR 0.0000853 0.44472 6.48968
33 2GJP BGC GLC DAF GLC GLC GLC DAF 0.008364 0.4665 6.59794
34 1TIW TFB 0.02133 0.42461 7.01403
35 4LED XXR 0.004878 0.40578 7.08955
36 1VBH PEP 0.0005306 0.4404 8.01603
37 2P41 SAH 0.04532 0.41105 8.52459
38 4L80 OXL 0.0001691 0.49219 8.62069
39 3HBN UDP 0.007688 0.42428 14.8936
Pocket No.: 4; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 49
This union binding pocket(no: 4) in the query (biounit: 3hqp.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FA6 FAD 0.01208 0.45397 1.40281
2 5FA6 FMN 0.01208 0.45397 1.40281
3 5FA6 NAP 0.01236 0.45397 1.40281
4 4JBL MET 0.004661 0.42661 1.76991
5 3MBI HSX 0.01011 0.40535 2.09059
6 1VB3 KPA 0.005091 0.42472 2.33645
7 5K9B FMN 0.0003572 0.42019 2.77778
8 4IF4 BEF 0.01264 0.40969 2.88462
9 1DQN IMU 0.009336 0.40701 3.04348
10 2WC1 FMN 0.0006858 0.41014 3.2967
11 5I7A 68Q 0.005524 0.42623 3.37423
12 2BGS NDP 0.02986 0.40412 3.48837
13 3QH2 3NM 0.01471 0.40194 3.61991
14 3NYQ AMP 0.03949 0.40004 3.80762
15 4BQS K2Q 0.0374 0.4023 3.97727
16 1OBV FMN 0.0004458 0.40832 4.14201
17 4PIV NDP 0.03172 0.40277 4.20842
18 1RP0 AHZ 0.03628 0.40088 4.22535
19 4H2D FMN 0.001246 0.40237 4.24242
20 2UVO NDG 0.003797 0.42856 4.67836
21 5D9O BGC BGC BGC BGC 0.01921 0.41938 4.81586
22 1H6H PIB 0.01492 0.41328 4.8951
23 3BIB PSF 0.01413 0.40139 5.17241
24 1HGX 5GP 0.00586 0.41673 5.46448
25 2ZE7 DST 0.01042 0.42083 5.5336
26 3RC3 ANP 0.01085 0.40387 5.61122
27 5AYV NAP 0.0213 0.40243 5.82524
28 4JLS 3ZE 0.01477 0.40419 5.92105
29 2JBH 5GP 0.008047 0.41011 6.66667
30 1IYE PGU 0.03045 0.40368 7.11974
31 4XV1 904 0.02561 0.40867 7.53425
32 2XMY CDK 0.04274 0.41843 7.71812
33 1D6S PLP MET 0.009773 0.4176 7.76398
34 1D6S MET PLP 0.01981 0.40399 7.76398
35 5GXU FMN 0.004016 0.43102 7.81563
36 5NUL FMN 0.0008597 0.41541 7.97101
37 4PPF FLC 0.00262 0.45032 8
38 3F81 STT 0.002875 0.44015 8.19672
39 1B1C FMN 0.001507 0.40071 8.28729
40 1I1N SAH 0.01519 0.41538 8.84956
41 4P83 U5P 0.005321 0.41403 9.34066
42 3TD3 GLY 0.01692 0.40093 10.5691
43 5W8V 9YP 0.01181 0.41513 13.0233
44 4KFU ACP 0.001654 0.46405 14.1509
45 4R2I ANP 0.007509 0.41639 14.2857
46 4N82 FMN 0.000371 0.42765 15.1685
47 3ACC 5GP 0.007732 0.41095 15.4696
48 4LFL TG6 0.004667 0.41669 17.4419
49 3RGQ 5P5 0.008378 0.41743 20.5128
Pocket No.: 5; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 24
This union binding pocket(no: 5) in the query (biounit: 3hqp.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IV9 TSR 0.02226 0.40482 1.40281
2 2OG2 MLI 0.02412 0.40799 1.94986
3 4RW3 IPD 0.02462 0.4001 1.98676
4 1IGW PYR 0.01499 0.41278 2.07373
5 4OPC FDA 0.04953 0.40912 2.20751
6 1W1A NDG 0.02312 0.40012 2.33463
7 1O68 KIV 0.01381 0.41724 2.54545
8 3T7V MD0 0.02736 0.40186 2.57143
9 1UJP CIT 0.00953 0.40127 2.95203
10 3WCZ CIT 0.001178 0.42313 4.22078
11 1O5Q PYR 0.01432 0.41643 4.2623
12 2ZE3 AKG 0.01871 0.41218 4.36364
13 3H22 B53 0.004026 0.42587 4.3771
14 1U08 PLP 0.009617 0.41627 4.40415
15 5NBW 8SK 0.006661 0.41976 4.6729
16 4OKD GLC GLC GLC 0.03361 0.40191 5.81162
17 1OYF MHN 0.0225 0.40488 6.61157
18 4U36 TNR 0.01887 0.41254 6.66667
19 4UTU LRY 0.01199 0.40379 6.9869
20 3ANY 2A3 0.01792 0.40717 9.93377
21 1M3U KPL 0.02226 0.40231 10.9848
22 4NAE 1GP 0.01188 0.41916 12
23 1MEX RAC 0.01567 0.40588 12.5581
24 1I7M PUT 0.01318 0.42375 20.8955
Pocket No.: 6; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: 5
This union binding pocket(no: 6) in the query (biounit: 3hqp.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1L5Y BEF 0.005773 0.42599 3.87097
2 3CTR MGP 0.02062 0.40033 3.9604
3 2UVO NDG 0.0132 0.41664 4.67836
4 1Z6K OAA 0.02202 0.40045 4.77816
5 3HW5 AMP 0.02926 0.40224 9.96169
Pocket No.: 7; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 27
This union binding pocket(no: 7) in the query (biounit: 3hqp.bio10) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3R75 BEZ 0.0145 0.40458 1.80361
2 2AF6 BRU 0.01951 0.40008 1.93798
3 2OG2 MLI 0.009061 0.40771 1.94986
4 3B9Q MLI 0.01431 0.40956 2.31788
5 3PDB OAA 0.02549 0.40515 2.49377
6 1G6H ADP 0.0143 0.4101 2.72374
7 5UAV TFB 0.02553 0.40935 3.10559
8 5UAV NDP 0.02553 0.40935 3.10559
9 1G8S MET 0.01267 0.41182 3.47826
10 5A89 FMN 0.01783 0.42204 3.84615
11 5A89 ADP 0.01783 0.42204 3.84615
12 1L5Y BEF 0.01356 0.41134 3.87097
13 2D2F ADP 0.009145 0.42454 4
14 3EGI ADP 0.01776 0.40018 4.36893
15 3FJO FMN 0.0009845 0.40494 4.40882
16 5HES 032 0.01841 0.40025 4.56026
17 4RL4 PPV 0.0167 0.40308 6.13208
18 2PS1 ORO 0.01423 0.40052 6.19469
19 5LJI FMN 0.003464 0.40442 8.10811
20 2F5X ASP 0.01747 0.40053 8.33333
21 4TO8 FLC 0.03186 0.40473 8.56164
22 2DBX GLU 0.01972 0.40105 8.94737
23 2J5V RGP 0.01958 0.40287 8.99183
24 1OVD FMN 0.03174 0.40452 9.96785
25 5M67 NAD 0.03462 0.41272 11.8998
26 5M67 3D1 0.0427 0.4079 11.8998
27 2XOD FMN 0.0009887 0.40358 20.1681
Pocket No.: 8; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: 5
This union binding pocket(no: 8) in the query (biounit: 3hqp.bio10) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RM0 FUC NAG GAL 0.02546 0.40477 2.21519
2 3LJU IP9 0.01123 0.41821 2.84974
3 3EF0 ALF 0.0326 0.40035 2.95699
4 3ENG CBI 0.01754 0.40347 3.75587
5 3IT7 TLA 0.01561 0.41428 29.6703
Pocket No.: 9; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 25
This union binding pocket(no: 9) in the query (biounit: 3hqp.bio10) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5U6C 7YS 0.02317 0.40048 2.22222
2 5GRF ADP 0.0328 0.40627 2.35988
3 4YZC STU 0.03828 0.40473 2.46914
4 4IJP 1EH 0.01159 0.42155 2.51397
5 5IFK HPA 0.006912 0.40822 2.5641
6 5LXC 7AA 0.006647 0.43249 2.69608
7 1RO7 CSF 0.04675 0.40393 2.7027
8 3QFU ADP 0.01356 0.40811 2.79188
9 1RE8 BD2 0.02261 0.42786 2.85714
10 4AUA 4AU 0.02405 0.40375 2.9316
11 5IVE 6E8 0.01776 0.42394 3.33333
12 3W7T BMA 0.0153 0.41943 3.60721
13 1U3G THF 0.0362 0.40104 3.7037
14 4YZN 4K5 0.006202 0.44089 3.83275
15 4BVA T3 0.03476 0.40402 3.8806
16 4CRL C1I 0.03025 0.40978 4.40882
17 5LVP ATP 0.01239 0.4009 4.50161
18 2IV3 UDP 0.02673 0.40332 4.67836
19 5UKL SIX 0.03844 0.4 4.71976
20 2GJ5 VD3 0.02063 0.41164 5.55556
21 1JJE BYS 0.0202 0.40624 6.75676
22 3MTX PGT 0.04174 0.40038 7.94702
23 3DLS ADP 0.01319 0.40417 8.65672
24 5C8W PCG 0.01808 0.40714 9.79021
25 3FV3 IVA VAL VAL STA ALA STA 0.02882 0.40117 10.9145
Pocket No.: 10; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 6
This union binding pocket(no: 10) in the query (biounit: 3hqp.bio8) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JFS 6K0 0.03356 0.40866 2.27273
2 3KRB NAP 0.0275 0.40359 4.19162
3 5T67 JHZ 0.03508 0.4136 4.32692
4 2WG9 OCA 0.01343 0.40391 9.23077
5 3R96 ACO 0.04211 0.40254 10.1064
6 5TWJ SAM 0.00581 0.42516 11.1111
Pocket No.: 11; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: 2
This union binding pocket(no: 11) in the query (biounit: 3hqp.bio8) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QAG F95 0.005731 0.4366 6.01504
2 1I7M PUT 0.01793 0.40828 20.8955
Pocket No.: 12; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 5
This union binding pocket(no: 12) in the query (biounit: 3hqp.bio8) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VJY 460 0.01128 0.43446 3.63036
2 3UH0 TSB 0.02155 0.40216 4.78261
3 5HQ0 LZ9 0.0122 0.41641 5.86081
4 1C3M MAN MAN 0.00365 0.41489 10.8844
5 2IRY DGT 0.01999 0.40509 13.2013
Pocket No.: 13; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 8
This union binding pocket(no: 13) in the query (biounit: 3hqp.bio12) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ITM XUL 0.01834 0.40098 2.47934
2 4XVX P6G FDA 0.02832 0.40396 2.57069
3 3L6C MLI 0.02127 0.40272 2.94985
4 2CYC TYR 0.01191 0.41006 6.66667
5 4N9I PCG 0.04522 0.40277 6.66667
6 2IMG MLT 0.01402 0.40353 7.28477
7 5MZY 8EZ 0.02539 0.40049 7.54717
8 3VPB GLU 0.01618 0.40479 14.2857
Pocket No.: 14; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 3
This union binding pocket(no: 14) in the query (biounit: 3hqp.bio12) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1D6H COA 0.02153 0.45603 2.06718
2 3O0G 3O0 0.01051 0.41598 7.38255
3 5DEX 5E0 0.04495 0.40358 7.42049
Pocket No.: 15; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: 5
This union binding pocket(no: 15) in the query (biounit: 3hqp.bio12) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZWI C5P 0.01825 0.40095 1.60858
2 4EUO ABU 0.01691 0.40956 2.8125
3 1A8S PPI 0.01989 0.40146 4.3956
4 5A5W GUO 0.01519 0.40723 5.13834
5 4Q86 AMP 0.01227 0.4016 7.01403
Pocket No.: 16; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 7
This union binding pocket(no: 16) in the query (biounit: 3hqp.bio4) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PS9 FAD 0.03805 0.40503 1.60321
2 5CUQ NSC 0.01278 0.42017 2.99625
3 2PZE ATP 0.01813 0.40432 3.49345
4 2ZE7 AMP 0.01582 0.40648 5.5336
5 1JJ7 ADP 0.01547 0.40801 5.76923
6 3NDJ JHZ 0.04126 0.40721 9.13461
7 2F5Z FAD 0.04074 0.40515 20.3125
Pocket No.: 17; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 4
This union binding pocket(no: 17) in the query (biounit: 3hqp.bio4) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3B9Q MLI 0.02256 0.40923 2.31788
2 5E58 CPZ 0.03429 0.40085 2.63692
3 5KJU 6TO 0.003255 0.42829 4.15704
4 1OVD FMN 0.02923 0.403 9.96785
Pocket No.: 18; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: 2
This union binding pocket(no: 18) in the query (biounit: 3hqp.bio4) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4NRT 2NG 0.03046 0.4006 1.2024
2 1U1J MET 0.03442 0.4012 3.60721
Pocket No.: 19; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 4
This union binding pocket(no: 19) in the query (biounit: 3hqp.bio9) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UWK NAD 0.01848 0.42467 1.40281
2 4I54 1C1 0.02728 0.40139 1.80361
3 1T5C ADP 0.02303 0.40299 2.00573
4 1XPJ TLA 0.02375 0.40854 14.2857
Pocket No.: 20; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: 1
This union binding pocket(no: 20) in the query (biounit: 3hqp.bio9) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1CT9 AMP 0.002928 0.40405 4.20842
Pocket No.: 21; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 6
This union binding pocket(no: 21) in the query (biounit: 3hqp.bio9) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2UUU PL3 0.02184 0.43061 2.40481
2 3UN3 G16 0.001681 0.43313 3.25815
3 1YC5 NCA 0.03435 0.41042 3.65854
4 5GXU FAD 0.02735 0.40111 7.81563
5 4J7U YTZ 0.04208 0.40634 8.68056
6 4J7U NAP 0.04208 0.40634 8.68056
Pocket No.: 22; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: 1
This union binding pocket(no: 22) in the query (biounit: 3hqp.bio13) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LUS TCE 0.02347 0.40339 6.23377
Pocket No.: 23; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 4
This union binding pocket(no: 23) in the query (biounit: 3hqp.bio13) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4YAG NAI 0.04036 0.40792 1.7301
2 1QFY FAD 0.04389 0.40064 2.92208
3 5TH5 MET 0.01726 0.40047 3.80228
4 5EZ7 FAD 0.04536 0.40265 3.82653
Pocket No.: 24; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 23
This union binding pocket(no: 24) in the query (biounit: 3hqp.bio13) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YAB AMP 0.01572 0.40578 2.21607
2 5LI1 ANP 0.02118 0.40848 2.25989
3 1U1W 3HA 0.006265 0.42213 2.68456
4 5O4J SAH 0.03711 0.41577 2.91971
5 5O4J 9KH 0.03711 0.41577 2.91971
6 5X1M DHB 0.02385 0.41047 2.95359
7 5X1M THG 0.02608 0.40817 2.95359
8 4WNK 453 0.03677 0.40004 3.00601
9 5KY3 GFB 0.01799 0.42035 3.38028
10 2C42 TPP 0.02735 0.41674 3.40681
11 2C42 PYR 0.02735 0.41674 3.40681
12 4RDI ATP 0.02379 0.40216 3.47222
13 2EBS BGC BGC XYS BGC XYS BGC XYS 0.0255 0.40416 3.80762
14 1X0P FAD 0.01734 0.40139 4.1958
15 1R6W 164 0.009663 0.41712 4.34783
16 5MBC FMN 0.01709 0.40089 4.53258
17 4X7G NAP 0.01569 0.41796 4.78088
18 3GFS FMN 0.009077 0.42164 5.17241
19 4J7N GTG 0.008441 0.4354 6.08466
20 4J7N 9MG 0.005731 0.4354 6.08466
21 3NUG NAD 0.04954 0.40119 7.69231
22 4OIC A8S 0.01176 0.40969 7.72947
23 3KVY URA 0.00841 0.40351 11.0032
Pocket No.: 25; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 17
This union binding pocket(no: 25) in the query (biounit: 3hqp.bio15) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3EYA TDP 0.02537 0.40947 1.2024
2 1KPH SAH 0.02931 0.40186 1.39373
3 4XFR CIT 0.01001 0.40677 1.87354
4 3FJG 3PG 0.002436 0.41412 2.78884
5 3MJY IJZ 0.0313 0.41193 3.17919
6 1MI3 NAD 0.02017 0.42224 3.72671
7 5C5H 4YB 0.02479 0.41135 3.75276
8 4WZH FMN 0.03022 0.40545 4.03458
9 3OIX FMN 0.01619 0.41684 4.34783
10 4XMF HSM 0.01243 0.41649 4.34783
11 1LQA NDP 0.02166 0.42276 4.62428
12 5AYV KPL 0.02006 0.42563 5.82524
13 4NAT 2W5 0.04515 0.40827 6.875
14 2RI1 GLP 0.003522 0.40765 8.93617
15 1U4J MAN 0.0203 0.42054 10.1695
16 2FXD DR7 0.0412 0.40205 11.1111
17 1IDA 0PO 0.04424 0.40684 15.1515
Pocket No.: 26; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 14
This union binding pocket(no: 26) in the query (biounit: 3hqp.bio7) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1R37 NAD 0.03793 0.41009 2.01729
2 2IGA XX3 0.01563 0.4111 2.46575
3 2IGA XX2 0.02016 0.40879 2.46575
4 5CUQ NSC 0.01899 0.42399 2.99625
5 4MKF AP5 0.04866 0.41227 3.68664
6 5G5G FAD 0.01969 0.40871 3.77358
7 5IH9 6BF 0.02113 0.4012 4.77612
8 5A5W GUO 0.03764 0.40622 5.13834
9 4JD3 COA 0.03251 0.40799 5.66572
10 5FJN BE2 0.0475 0.40868 5.92105
11 5FJN FAD 0.04488 0.40868 5.92105
12 4UTW RFW 0.02582 0.40056 6.9869
13 3KA2 2NC 0.02909 0.41054 9.35961
14 4HEQ FMN 0.019 0.41368 16.4384
Pocket No.: 27; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 5
This union binding pocket(no: 27) in the query (biounit: 3hqp.bio7) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4L8F MTX 0.01609 0.40293 2.24359
2 5BSR COA 0.03654 0.41563 2.40481
3 2UVO NAG 0.007477 0.41661 4.67836
4 5KVA SAM 0.01753 0.40127 5.7554
5 2OCI TYC 0.01559 0.40455 13.7795
Pocket No.: 28; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: 1
This union binding pocket(no: 28) in the query (biounit: 3hqp.bio7) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4REP FAD 0.02302 0.41452 4.0404
Pocket No.: 29; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 7
This union binding pocket(no: 29) in the query (biounit: 3hqp.bio5) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5W10 CMP 0.0324 0.406 3.07692
2 5GZ9 ANP 0.02588 0.40294 3.60656
3 4TUO SIA GAL SIA GLC NGA 0.01895 0.40498 4.54545
4 4L3L 5FI 0.0116 0.42383 4.93421
5 1QG6 TCL 0.04806 0.40365 6.13027
6 4TWP AXI 0.0205 0.44371 7.74908
7 2P7Q GG6 0.01555 0.40397 12.0301
Pocket No.: 30; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 1
This union binding pocket(no: 30) in the query (biounit: 3hqp.bio5) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Q19 SSC 0.01577 0.4054 2.80561
Pocket No.: 31; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: 1
This union binding pocket(no: 31) in the query (biounit: 3hqp.bio5) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GU8 796 0.04893 0.40083 2.96736
Pocket No.: 32; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: 1
This union binding pocket(no: 32) in the query (biounit: 3hqp.bio6) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2J5V PCA 0.01116 0.40067 8.99183
Pocket No.: 33; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 6
This union binding pocket(no: 33) in the query (biounit: 3hqp.bio6) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UIU 8CG 0.02059 0.41869 1.85759
2 3ERR AMP 0.01513 0.41371 2.00401
3 2D3S TNR 0.02449 0.40057 3.71901
4 5VC5 96M 0.02566 0.41216 4.49827
5 5U3F 7TS 0.02681 0.40049 7.88043
6 3FPZ AHZ 0.01678 0.48605 7.97546
Pocket No.: 34; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 34) in the query (biounit: 3hqp.bio6) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 35; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 35) in the query (biounit: 3hqp.bio3) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 36; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 1
This union binding pocket(no: 36) in the query (biounit: 3hqp.bio3) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WMX THR 0.02891 0.40252 5.58659
Pocket No.: 37; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 4
This union binding pocket(no: 37) in the query (biounit: 3hqp.bio3) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5A89 FMN 0.02433 0.40523 3.84615
2 5A89 ADP 0.02283 0.40523 3.84615
3 5EYK 5U5 0.02602 0.40231 6.77966
4 3ZXE PGZ 0.009753 0.40012 27.8195
Pocket No.: 38; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 2
This union binding pocket(no: 38) in the query (biounit: 3hqp.bio11) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XVX P33 FDA 0.03456 0.40062 2.57069
2 1PNO NAP 0.0284 0.40167 11.1111
Pocket No.: 39; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 5
This union binding pocket(no: 39) in the query (biounit: 3hqp.bio11) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5ULJ 0WD 0.03219 0.40133 1.74564
2 5G5G MCN 0.0482 0.40486 3.77358
3 2W9S NDP 0.04821 0.40917 5.59006
4 1KQN NAD 0.02599 0.41472 7.16846
5 1NXJ TLA 0.01043 0.40094 13.1148
Pocket No.: 40; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 40) in the query (biounit: 3hqp.bio11) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 41; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 5
This union binding pocket(no: 41) in the query (biounit: 3hqp.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LXD FAD 0.03931 0.40218 4.09639
2 4AML GYU 0.00758 0.40464 4.67836
3 4BAS GNP 0.01748 0.40354 5.02513
4 2FWP ICR 0.01165 0.40267 5.46448
5 5AR0 GB8 0.01517 0.40819 8.12183
Pocket No.: 42; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 2
This union binding pocket(no: 42) in the query (biounit: 3hqp.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4N70 2HX 0.02253 0.41032 3.96341
2 3HCH RSM 0.02323 0.40159 7.53425
Pocket No.: 43; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 43) in the query (biounit: 3hqp.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 44; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 44) in the query (biounit: 3hqp.bio14) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 45; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found: 9
This union binding pocket(no: 45) in the query (biounit: 3hqp.bio14) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZQ0 ACR 0.01901 0.40817 1.2024
2 5BUK FAD 0.03227 0.41738 2.22222
3 1PI5 SM2 0.02741 0.41758 2.7933
4 4R74 F6P 0.02629 0.40083 3.11526
5 2UVF AD0 0.01762 0.40287 3.60721
6 4CSS CWX 0.01793 0.4106 3.68098
7 5K2M ADP 0.01599 0.41776 3.77358
8 1X1Z BMP 0.03491 0.41964 5.55556
9 4MNS 2AX 0.03775 0.41025 21.3836
Pocket No.: 46; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found: 2
This union binding pocket(no: 46) in the query (biounit: 3hqp.bio14) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1M4I PAP 0.02925 0.40633 1.65746
2 1M4I COA 0.02925 0.40633 1.65746
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