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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;
none;
none;
none;
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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;
none;
none;
none;
none;
none;
none;
none;
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none;
none;
none;
none;
none;
none;
none;
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none;
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none;
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none;
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 7 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 4 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 (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5WSC - G6P C6 H13 O9 P C([C@@H]1[....
2 5WSB - G6P C6 H13 O9 P C([C@@H]1[....
3 5WS9 - OXL C2 O4 C(=O)(C(=O....
4 3BJF - FBP C6 H14 O12 P2 C([C@@H]1[....
5 6B6U - OXL C2 O4 C(=O)(C(=O....
6 4QG8 - MLI C3 H2 O4 C(C(=O)[O-....
7 4JPG - 1OX C16 H12 N4 O c1ccc2c(c1....
8 4G1N - NZT C24 H22 N6 O3 S c1cc2cccnc....
9 1A49 - OXL C2 O4 C(=O)(C(=O....
10 2G50 - PYR C3 H4 O3 CC(=O)C(=O....
11 6GG4 - PHE C9 H11 N O2 c1ccc(cc1)....
12 5X1V - FBP C6 H14 O12 P2 C([C@@H]1[....
13 3N25 - PRO C5 H9 N O2 C1C[C@H](N....
14 1A5U - OXL C2 O4 C(=O)(C(=O....
15 3QV9 - QV7 C22 H16 N4 O13 S4 c1cc(ccc1/....
16 3HQP - FDP C6 H14 O12 P2 C([C@@H]1[....
17 3QV8 - S62 C7 H5 N O6 S3 c1cc2c(cc1....
18 3PP7 - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
19 4IP7 - FBP C6 H14 O12 P2 C([C@@H]1[....
20 4IMA - FLC C6 H5 O7 C(C(=O)[O-....
21 4KCV - FDP C6 H14 O12 P2 C([C@@H]1[....
22 4KCT - PYR C3 H4 O3 CC(=O)C(=O....
23 4HYW - FDP C6 H14 O12 P2 C([C@@H]1[....
24 4KCU - MLT C4 H6 O5 C([C@H](C(....
25 4HYV - PEP C3 H5 O6 P C=C(C(=O)O....
26 4KCW - OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 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 FBP 0.462963 0.954545
6 AFP 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 with APoc: 22
This union binding pocket(no: 1) in the query (biounit: 3hqp.bio16) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZGS XMM 1.11857
2 3JU6 ARG 1.35135
3 4OUE IPT 1.91898
4 2Z48 A2G 2.31481
5 5E58 CPZ 2.63692
6 4IF4 BEF 2.88462
7 3RK1 ATP 3.79747
8 5YV5 ADP 3.80762
9 1PDZ PGA 4.14747
10 1CT9 AMP 4.20842
11 1YQT ADP 4.20842
12 2UVO NAG 4.67836
13 3WCS MAN NAG 5.11811
14 4QEK GLC 5.64784
15 3TW1 AHN 5.90717
16 1JBU BEN 6.34921
17 4U36 TNR 6.66667
18 1A8U BEZ 7.22022
19 3A76 SPD 8.52273
20 2C5S AMP 8.95884
21 4M1U A2G MBG 10
22 6GPC ARG 15.873
Pocket No.: 2; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found with APoc: 154
This union binding pocket(no: 2) in the query (biounit: 3hqp.bio16) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5TS5 FAD 1.23967
2 5WO4 B7V 1.3245
3 1NE7 AGP 1.38408
4 1PG4 PRX 1.60321
5 1PG4 COA 1.60321
6 5H5F SAM 1.7094
7 1VL0 NAI 1.71233
8 2OHH FMN 1.73267
9 4I54 1C1 1.80361
10 3DMH GMP 1.83727
11 3DMH SAM 1.83727
12 1LDN NAD 1.89873
13 2IZ1 ATR 1.89873
14 2DFV NAD 2.01729
15 1NV8 SAM 2.11268
16 3C3N FMN 2.24359
17 1AG9 FMN 2.28571
18 5YGE GLU 2.29885
19 4JWF SAH 2.30415
20 4NTD FAD 2.35294
21 5XWC 8GL 2.3913
22 5XWC NAP 2.3913
23 5XWC 2IT 2.3913
24 3BBH SFG 2.43902
25 3CTL S6P 2.5974
26 3AYI FAD 2.60521
27 3AYI HCI 2.60521
28 3HVJ 705 2.71493
29 1AKV FMN 2.72109
30 4CNG SAH 2.7451
31 5K9B FMN 2.77778
32 3FJG 3PG 2.78884
33 3HAZ FAD 2.80561
34 3EWP APR 2.82486
35 4JWH SAH 2.8754
36 3FPF TNA 3.02013
37 3FPF MTA 3.02013
38 1V35 NAI 3.03951
39 2AE2 PTO 3.07692
40 1V2X SAM 3.09278
41 4KVX ACO 3.20513
42 2YVK MRU 3.20856
43 5O96 SAM 3.26531
44 3N39 FMN 3.26797
45 2FJK 13P 3.27869
46 3A4T SFG 3.28467
47 2WC1 FMN 3.2967
48 3AIA SAM 3.31754
49 4FZV SAM 3.34728
50 5MIT FAD 3.36391
51 5MIT NAP 3.36391
52 3LXK MI1 3.36391
53 6BA2 7KM 3.38983
54 4NMC 2OP 3.40681
55 5KF6 TFB 3.40681
56 5KF6 FAD 3.40681
57 1EU1 GLC 3.40681
58 2YY8 SAM 3.48259
59 2B9W FAD 3.53774
60 1T10 F6P 3.60721
61 5GUD 2IT 3.60934
62 5GUD NDP 3.60934
63 2BKX F6R 3.71901
64 4CNE SAH 3.74532
65 1S7N COA 3.84615
66 3ZJ0 ACO 3.8835
67 3FXU TSU 3.93443
68 5TVJ 7LF 4.02844
69 5TVJ COA 4.02844
70 3KAP FMN 4.08163
71 3A4V PYR 4.10095
72 3A4V NAD 4.10095
73 1OBV FMN 4.14201
74 1CZR FMN 4.14201
75 3KRB NAP 4.19162
76 5XFV FMN 4.19162
77 3LAD FAD 4.20168
78 1E5Q NDP 4.22222
79 1RP0 AHZ 4.22535
80 4H2D FMN 4.24242
81 3FJO FMN 4.40882
82 6EMU SAM 4.56853
83 3GFB NAD 4.57143
84 6GAR FAD 4.58453
85 4XYB NDP 4.60358
86 1TLL FMN 4.60922
87 3VC3 C6P 4.65116
88 3OII SAH 4.74308
89 5D9O BGC BGC BGC BGC 4.81586
90 6CUZ FEV 4.89691
91 2Q4V ACO 5.29412
92 4M52 FAD 5.36481
93 4RDN 6MD 5.38922
94 3F6R FMN 5.40541
95 5LXT GDP 5.59441
96 6EBQ FMN 5.625
97 6AM8 PLT 5.80808
98 6AM8 TRP 5.80808
99 6AMI TRP 5.80808
100 5HH0 COA 6
101 3VPD CIT 6.04982
102 3AD8 NAD 6.06061
103 3WDM ADN 6.13027
104 4BLW SAH 6.22837
105 5EOB 5QQ 6.26959
106 4O8A FAD 6.41283
107 1QSM ACO 6.57895
108 1XSE NDP 6.77966
109 3WR7 COA 7.05882
110 1LSS NAD 7.14286
111 1FS5 TLA 7.14286
112 5HJQ I3P 7.18085
113 4II2 ATP 7.22892
114 1T57 FMN 7.28155
115 3CH6 311 7.34266
116 3CH6 NAP 7.34266
117 1REO FAD 7.40741
118 5AHW CMP 7.48299
119 1WWZ ACO 7.54717
120 4R57 ACO 7.95455
121 5NUL FMN 7.97101
122 3ITJ FAD 7.98817
123 1MXI SAH 8.125
124 1B1C FMN 8.28729
125 4BMO FMN 8.40336
126 4RI1 ACO 8.60215
127 1MJT NAD 8.64553
128 4JWJ SAH 8.91089
129 2RI1 GLP 8.93617
130 1HFE CYS 8.94309
131 2GKS ADP 9.01804
132 6GFK SAH 9.16335
133 3F8K COA 9.375
134 1WG8 SAM 9.47368
135 5VEG FMN 9.55056
136 6GAQ FMN 9.74026
137 2GAG NAD 10.4762
138 4JAL SAH 10.7784
139 2FCR FMN 10.9827
140 5TWJ SAM 11.1111
141 3DCM SAM 11.4583
142 4XPL ACO 11.6564
143 4UA3 COA 11.8557
144 5U5G NAP 12.8814
145 3LN9 FLC 12.9496
146 5GK9 ACO 14
147 5ZI2 ADP 15.0725
148 4N82 FMN 15.1685
149 4HEQ FMN 16.4384
150 1NNU TCT 16.6667
151 1NNU NAD 16.6667
152 2F5Z FAD 20.3125
153 6FSG FMN 20.4082
154 3F8D FAD 27.2446
Pocket No.: 3; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found with APoc: 169
This union binding pocket(no: 3) in the query (biounit: 3hqp.bio16) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 6BOC RIM None
2 6BOC EU7 None
3 6BKK 308 None
4 2WSB NAD 1.1811
5 3CV2 OXL 1.2024
6 6C6O ENG 1.2024
7 3COW 52H 1.3289
8 5FP4 YC8 1.49701
9 1UH4 GLC GLC GLC 1.60321
10 1PIG AGL GLC HMC AGL GLC BGC 1.6129
11 2Y7G AAE 1.77305
12 1KC7 PPR 1.80361
13 2X1L ADN 1.80361
14 2G37 FAD 1.83486
15 3C6K MTA 1.83727
16 3C6K SPD 1.83727
17 6A1G 9OL 1.94444
18 5AE2 FAD 2.00401
19 1D8C GLV 2.00401
20 5UFC DR2 2.01613
21 2WME NAP 2.04082
22 2WOX NDP 2.04499
23 5OMY 9YE 2.04604
24 5M42 FMN 2.15054
25 5O42 NAD 2.18978
26 5O42 9JW 2.18978
27 5O42 BGC 2.18978
28 3O0Q ADN 2.20441
29 3O0Q TTP 2.20441
30 3O0Q GDP 2.20441
31 5UR1 YY9 2.2508
32 4RFM 3P6 2.25564
33 5T8O 76Z 2.29226
34 3GE7 AFQ 2.33161
35 2UUU PL3 2.40481
36 2UUU FAD 2.40481
37 4B2Z P5S 2.45536
38 4WB7 ATP 2.46914
39 3ZYR NAG NAG BMA MAN MAN NAG NAG 2.68199
40 1TB4 PEJ 2.69542
41 1FDJ 2FP 2.75482
42 3HAZ FAD 2.80561
43 4IDT T28 2.80899
44 4WB6 ATP 2.85714
45 1IA9 ANP 2.85714
46 5L95 AMP 2.86738
47 4X7Q 3YR 2.88462
48 3CQD ATP 2.91262
49 3MVH WFE 2.92398
50 3SUD SUE 2.95567
51 2Q28 TPP 3.00601
52 3UWV 2PG 3.06513
53 4GID 0GH 3.09278
54 1V0O INR 3.125
55 1HYE NAP 3.19489
56 4L9Z COA 3.24484
57 4L9Z OXL 3.24484
58 2V1O COA 3.31126
59 2VWT PYR 3.37079
60 1JQN DCO 3.40681
61 4NMC FAD 3.40681
62 4NMC 2OP 3.40681
63 5KF6 TFB 3.40681
64 5KF6 FAD 3.40681
65 1E8G FAD 3.40681
66 4GA6 AMP 3.40681
67 5WNL STU 3.50877
68 2FLI DX5 3.63636
69 4DQ2 BTX 3.65854
70 2XZ9 PYR 3.7037
71 2ZMF CMP 3.7037
72 5UCD NAP 3.71991
73 5FLJ QUE 3.76344
74 3G6K FAD 3.8961
75 3G6K POP 3.8961
76 3RJ5 NAD 3.93701
77 4N70 2HX 3.96341
78 4NM5 ADP 3.97878
79 3KAP FMN 4.08163
80 3CY2 MB9 4.14013
81 5LYR MAN MNM 4.15584
82 5XFV FMN 4.19162
83 1F0X FAD 4.20842
84 5JCA FAD 4.22535
85 2WSI FAD 4.24837
86 5W70 9YM 4.26966
87 1K9J NAG MAN MAN MAN NAG 4.31655
88 6CMJ F6J 4.36137
89 1U08 PLP 4.40415
90 3VRY B43 4.40529
91 1P7T PYR 4.40882
92 6CLV 6MB 4.46735
93 2V5K OXM 4.60922
94 2Z7R STU 4.6729
95 4FFG LBS 4.6748
96 2IV3 UDP 4.67836
97 5XQW 8EU 4.73934
98 1LUA NAP 4.87805
99 1HXD BTN 4.98442
100 4IGQ THR M3L GLN 5
101 3OJF NDP 5.05837
102 4NZF ARB 5.13393
103 2GZ3 NAP 5.19126
104 2I0K FAD 5.21042
105 5UBG PRT 5.30973
106 2HKA C3S 5.38462
107 2ZUX RAM 5.41082
108 3TTC ADP 5.41082
109 5XET ME8 5.48204
110 1N62 MCN 5.55556
111 4AZ3 S35 5.80645
112 1UNH IXM 5.82192
113 2Q3O FMN 5.88235
114 3NRZ FAD 5.90164
115 2BUP ATP 6.03675
116 2BUP ADP 6.03675
117 5GQX GLC GLC GLC GLC GLC GLC GLC 6.21242
118 5K4W THR 6.23053
119 4O8A FAD 6.41283
120 1IZC PYR 6.48968
121 5YSQ INS 6.64336
122 2Q8Z NUP 6.72515
123 1XS1 DUT 6.73575
124 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 6.78733
125 1MZV AMP 6.80851
126 4UX9 ANP 6.86813
127 5UWA 8ND 6.89655
128 1FFU CDP 6.96864
129 1TIW TFB 7.01403
130 1TIW FAD 7.01403
131 4PNI KQQ 7.01403
132 1UMD TDP COI 7.08447
133 4LED XXR 7.08955
134 5N9T 8QQ 7.28291
135 4YSW FAD 7.41483
136 4YSW NAI 7.41483
137 5VL2 9EG 7.57576
138 2D3M COA 7.63547
139 6F4W FMC 7.72532
140 2RL1 UD1 7.78302
141 1VBH PEP 8.01603
142 1UPF URF 8.03571
143 5X30 7XF 8.29146
144 1XJD STU 8.4058
145 4L80 OXL 8.62069
146 4H6Q TFB 8.65385
147 4H6Q FAD 8.65385
148 2WU6 DKI 8.66142
149 4J7U NAP 8.68056
150 4J7U YTZ 8.68056
151 4R5M 4NO 8.7766
152 4QDF 30Q 8.97436
153 3CF6 SP1 8.98204
154 4IVN BMX 8.99281
155 1C9K 5GP 9.44444
156 3VCY UD1 10
157 3DVA TPW 10.5691
158 4XTX 590 10.7407
159 4B5W PYR 10.9375
160 1RM6 FAD 11.1801
161 6C0T EE4 11.5274
162 1EE0 CAA 14.4279
163 3HBN UDP 14.8936
164 1W85 TDP 16.3265
165 3OIG NAD 16.5414
166 1T3Q FAD 16.6667
167 1U7Z PMT 16.8142
168 5ODQ 9SB 17.1429
169 3E85 BSU 21.519
Pocket No.: 4; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found with APoc: 143
This union binding pocket(no: 4) in the query (biounit: 3hqp.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3COW 52H 1.3289
2 5FA6 NAP 1.40281
3 5FA6 FMN 1.40281
4 5FA6 FAD 1.40281
5 6FP4 E1T 1.40281
6 4RLQ 3SK 1.40281
7 2VVL FAD 1.41414
8 3L6R MLI 1.7341
9 4IYO 0JO 1.76322
10 4IY7 0JO 1.76322
11 4JBL MET 1.76991
12 3H7U NAP 1.79104
13 3KLL MAL 1.80361
14 2POC BG6 1.90736
15 1HYH NAD 1.94175
16 4C3Y ANB 2.00401
17 4GLL NAD 2.07715
18 4L1F FAD 2.08877
19 3MBI HSX 2.09059
20 1NV8 MEQ 2.11268
21 5O2J 2PO 2.1978
22 5TTJ FAD 2.20441
23 1E5D FMN 2.23881
24 1VB3 KPA 2.33645
25 4WOH 4NP 2.40964
26 5D85 P1T 2.45399
27 5BSH PRO 2.52708
28 5GVR LMR 2.5641
29 1GPE FAD 2.60521
30 4XT8 TMQ 2.71318
31 4XT8 NAP 2.71318
32 5LMC FMN 2.71399
33 4QYS PLP SEP 2.71493
34 4UXH T5A 2.71739
35 5KOK SAH 2.77078
36 5IXB LGA 2.77778
37 2F2H XTG 2.80561
38 1Q19 SSC 2.80561
39 5B3A 0JO 2.82776
40 3O3R NAP 2.8481
41 1BUC FAD 2.87206
42 4IF4 BEF 2.88462
43 6CEP NAD 2.99401
44 6CEP OXM 2.99401
45 3X44 PUS 3.01205
46 9LDT NAD 3.01205
47 1DQN IMU 3.04348
48 5JVB 2PO 3.21429
49 4D9C PMP 3.21637
50 1J0D 5PA 3.22581
51 3RNM FAD 3.23232
52 4PLT OXM 3.32326
53 4PLT NAI 3.32326
54 5I7A 68Q 3.37423
55 2BGS NDP 3.48837
56 1RLJ FMN 3.59712
57 3LZW NAP 3.61446
58 1O5O U5P 3.61991
59 3QH2 3NM 3.61991
60 4OXX FMN 3.7037
61 4YKG FAD 3.80762
62 3NYQ AMP 3.80762
63 1QK3 5GP 3.86266
64 2Q9U FMN 3.86473
65 6FRN FMN 3.90244
66 1R18 SAH 3.96476
67 4BQS ADP 3.97727
68 4BQS K2Q 3.97727
69 3H86 AP5 4.16667
70 3AB1 FAD 4.16667
71 4PIV NDP 4.20842
72 1JG3 ADN 4.25532
73 5LV1 78T 4.28571
74 1N07 FMN 4.29448
75 1N07 ADP 4.29448
76 2JB2 FAD 4.29448
77 2JB2 PHE 4.29448
78 2QQ0 ADP 4.34783
79 2QQ0 TMP 4.34783
80 2QQ0 ANP 4.34783
81 3EGI ADP 4.36893
82 3H7R NAP 4.53172
83 1CX9 NHP 4.53401
84 5HES 032 4.56026
85 2BW7 APC 4.56621
86 4YQE PLQ 4.56853
87 4YQE FMN 4.56853
88 2UVO NAG 4.67836
89 2UVO NDG 4.67836
90 3DAA PDD 4.69314
91 1H6H PIB 4.8951
92 1EWK GLU 4.89796
93 1F5N GNP 5.01002
94 1V7C HEY 5.12821
95 4EWN 0VR 5.13834
96 3BIB PSF 5.17241
97 3OZG SSI 5.2
98 5WKC FAD 5.41082
99 1HGX 5GP 5.46448
100 2ZE7 DST 5.5336
101 3RC3 ANP 5.61122
102 5AYV NAP 5.82524
103 4JLS 3ZE 5.92105
104 6AR9 3L4 6.25
105 2JBH 5GP 6.66667
106 4IJR NDP 6.68605
107 1IYE PGU 7.11974
108 4XV1 904 7.53425
109 2XMY CDK 7.71812
110 1D6S PLP MET 7.76398
111 1D6S MET PLP 7.76398
112 5MW4 5JU 7.78443
113 5GXU FMN 7.81563
114 4PPF FLC 8
115 5LJI FMN 8.10811
116 3F81 STT 8.19672
117 2DM6 NAP 8.40841
118 2DM6 IMN 8.40841
119 2GJN NIS 8.53659
120 2GJN FMN 8.53659
121 6BYF CIT 8.82353
122 1I1N SAH 8.84956
123 2J5V RGP 8.99183
124 1SVM ATP 9.28382
125 4P83 U5P 9.34066
126 4D9M 0JO 10.0503
127 1W4R TTP 10.2564
128 1S7G APR 10.2767
129 1BVY FMN 10.4712
130 3TD3 GLY 10.5691
131 1BZY IMU 12.9032
132 4J56 FAD 14.0351
133 4KFU ACP 14.1509
134 4R2I ANP 14.2857
135 1ZUI SKM 14.2857
136 3VPB GLU 14.2857
137 1XPJ TLA 14.2857
138 5Z84 PEK 15.2542
139 4P86 5GP 15.3005
140 4KOT CE3 15.4321
141 3ACC 5GP 15.4696
142 4LFL TG6 17.4419
143 3RGQ 5P5 20.5128
Pocket No.: 5; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found with APoc: 47
This union binding pocket(no: 5) in the query (biounit: 3hqp.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZGS XMM 1.11857
2 4IV9 TSR 1.40281
3 5E70 RCD 1.40281
4 5ULJ 0WD 1.74564
5 2OG2 MLI 1.94986
6 4RW3 IPD 1.98676
7 1IGW PYR 2.07373
8 4OPC FDA 2.20751
9 1W1A NDG 2.33463
10 2Y88 2ER 2.45902
11 1O68 KIV 2.54545
12 3T7V MD0 2.57143
13 1UJP CIT 2.95203
14 5KL0 G16 3.21199
15 5YBL AKG 3.50318
16 1YQZ FAD 3.65297
17 5YV5 ADP 3.80762
18 3NZ1 3NY 3.83142
19 4CPB GAL CN8 4.13223
20 1CT9 AMP 4.20842
21 1YQT ADP 4.20842
22 5NC1 NAG 4.21941
23 3WCZ CIT 4.22078
24 1O5Q PYR 4.2623
25 2ZE3 AKG 4.36364
26 3H22 B53 4.3771
27 5NBW 8SK 4.6729
28 1PIE GLA 5.01193
29 5A5W GUO 5.13834
30 3KCC CMP 5.38462
31 4OKD GLC GLC GLC 5.81162
32 3AXM 6PG 6.49895
33 1OYF MHN 6.61157
34 4U36 TNR 6.66667
35 4UTU LRY 6.9869
36 4UTW RFW 6.9869
37 6GNO XDI 7.40741
38 3FYP PEP 8.21429
39 3A76 SPD 8.52273
40 1OVD FMN 9.96785
41 1OVD ORO 9.96785
42 1M3U KPL 10.9848
43 4NAE 1GP 12
44 1MEX RAC 12.5581
45 6C4A PYR 14.2534
46 1I7M PUT 20.8955
47 3DZ6 PUT 20.8955
Pocket No.: 6; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found with APoc: 14
This union binding pocket(no: 6) in the query (biounit: 3hqp.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y88 2ER 2.45902
2 5UXM PEP 2.86976
3 5B0I BOG 3.207
4 1L5Y BEF 3.87097
5 3CTR MGP 3.9604
6 3DUV KDO 4.19847
7 5NC1 NAG 4.21941
8 1B4B ARG 4.22535
9 2UVO NDG 4.67836
10 1Z6K OAA 4.77816
11 3KCC CMP 5.38462
12 2QPU QPU 5.4321
13 5X7Q ACR 8.01603
14 3HW5 AMP 9.96169
Pocket No.: 7; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found with APoc: 50
This union binding pocket(no: 7) in the query (biounit: 3hqp.bio10) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3X0V FAD 1.2024
2 3JU6 ARG 1.35135
3 3R75 BEZ 1.80361
4 3NKS FAD 1.88679
5 2AF6 BRU 1.93798
6 2OG2 MLI 1.94986
7 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 2.00401
8 4M0R 644 2.11082
9 5U97 PIT 2.20441
10 4RFM 3P6 2.25564
11 3B9Q MLI 2.31788
12 3QVP FAD 2.40481
13 3PDB OAA 2.49377
14 1YJQ NAP 2.64026
15 2ZW5 COA 2.65781
16 2NVK FAD 2.66393
17 1G6H ADP 2.72374
18 5MB4 NDG 2.99252
19 5UAV TFB 3.10559
20 5UAV NDP 3.10559
21 1G8S MET 3.47826
22 3ELW GP3 3.66667
23 5A89 ADP 3.84615
24 5A89 FMN 3.84615
25 1C0I FAD 3.85675
26 1C0I BE2 3.85675
27 1L5Y BEF 3.87097
28 2D2F ADP 4
29 3NRR D16 4.20842
30 1TMM APC 4.43038
31 1TMM HHR 4.43038
32 3C3Y SAH 4.64135
33 3CV6 HXS 4.64396
34 3CV6 NAP 4.64396
35 4U00 ADP 5.7377
36 4RL4 PPV 6.13208
37 2PS1 ORO 6.19469
38 4KQI RBZ 6.74157
39 3FPZ AHZ 7.97546
40 2F5X ASP 8.33333
41 1S8F GDP 8.47458
42 4TO8 FLC 8.56164
43 2DBX GLU 8.94737
44 6HKE LMR 9.1195
45 1OVD ORO 9.96785
46 1OVD FMN 9.96785
47 5ZQS XYP 9.98152
48 5M67 NAD 11.8998
49 5M67 3D1 11.8998
50 5NXX 3Q7 16.4179
Pocket No.: 8; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found with APoc: 9
This union binding pocket(no: 8) in the query (biounit: 3hqp.bio10) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2BKL ZAH 1.2024
2 4TR9 38D 1.62602
3 4RM0 FUC NAG GAL 2.21519
4 3LJU IP9 2.84974
5 3EF0 ALF 2.95699
6 2HIM ASN 3.35196
7 3ENG CBI 3.75587
8 4Q86 AMP 7.01403
9 5JJ2 MLI 9.47867
Pocket No.: 9; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found with APoc: 98
This union binding pocket(no: 9) in the query (biounit: 3hqp.bio10) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3LKZ SFG 1.24611
2 3UIM ANP 1.53374
3 2NSJ C2R 1.77515
4 3FHQ BMA NGT MAN MAN 1.80361
5 3RI1 3RH 1.91693
6 6GIN IR2 1.99336
7 4WNP 3RJ 2.09059
8 1PVN MZP 2.12766
9 4UAL 3FV 2.14797
10 2H8H H8H 2.20441
11 5U6C 7YS 2.22222
12 2X2M X2M 2.2293
13 3BWN PMP 2.30179
14 5FB3 NDP 2.36686
15 5DK4 ATP 2.43161
16 4YZC STU 2.46914
17 4IJP 1EH 2.51397
18 4I4Z 2NE 2.54545
19 4AZW ATP 2.54777
20 5IFK HPA 2.5641
21 3EFS BTN 2.57511
22 4ZUL UN1 2.60521
23 4WOP CTP 2.66667
24 1RO7 CSF 2.7027
25 2X61 CH 2.71318
26 2F2U M77 2.73632
27 3QFU ADP 2.79188
28 6G34 5ID 2.80112
29 1RE8 BD2 2.85714
30 1LAN LEU 2.89256
31 4AUA 4AU 2.9316
32 2D4V NAD 3.0303
33 3UZO GLU 3.07263
34 3UZO PLP 3.07263
35 5W10 CMP 3.07692
36 2XK9 XK9 3.10559
37 2WTX UDP 3.16456
38 3B0X DGT 3.20641
39 2XN2 GLA 3.20641
40 2YW2 ATP 3.30189
41 3TXO 07U 3.39943
42 3FC4 EDO 3.40681
43 2C6Q NDP 3.4188
44 5X8I SQZ 3.46821
45 2FFC U5P 3.60721
46 1QRP HH0 3.68098
47 1U3G THF 3.7037
48 4OHU 2TK 3.80623
49 4OHU NAD 3.80623
50 4YZN 4K5 3.83275
51 4BVA T3 3.8806
52 4FL0 PLP 3.94737
53 4OTH DRN 4.10557
54 4CRL C1I 4.40882
55 5LVP ATP 4.50161
56 1V1A ADP 4.53074
57 4R5Z SIN 4.63215
58 5UKL SIX 4.71976
59 2QV6 GTP 4.85075
60 5EXW 7DT 5
61 2X32 OTP 5.02793
62 1H5T TYD 5.11945
63 2EQA AMP 5.39773
64 2WZV FMN 5.53191
65 3H4T UDP 5.69307
66 5W4W 9WG 5.74018
67 5YJS SAL 5.89744
68 4JLS 3ZE 5.92105
69 5Y79 3PG 6.07903
70 4JNA FAD 6.17647
71 1JQ9 PHE LEU SER TYR LYS 6.61157
72 1JJE BYS 6.75676
73 1KDO C 7.04846
74 4D42 W0I 7.0922
75 4D42 NAP 7.0922
76 2VHA GLU 7.31707
77 6CHP F0Y 7.45342
78 4CFU 2WC 7.59076
79 6GUE FB8 7.61589
80 4BCN T9N 7.66667
81 3MTX PGT 7.94702
82 5DMZ ADP 8.21918
83 5YIC 8VO 8.23171
84 5X30 4LM 8.29146
85 6G3R ADP 8.42105
86 3DLS ADP 8.65672
87 4R5M NAP 8.7766
88 4ZS4 ATP 8.79479
89 5I34 GDP 8.84354
90 1JE1 GMP 8.8983
91 3OTH TYD 9.2233
92 5C8W PCG 9.79021
93 4I9A NCN 11.8056
94 1TU3 GNP 12.8655
95 2JG1 ANP 13.0303
96 4J56 FAD 14.0351
97 3LF0 ATP 16.6667
98 1T3Q MCN 16.6667
Pocket No.: 10; Query (leader) PDB : 3HQP; Ligand: FDP; Similar sites found with APoc: 30
This union binding pocket(no: 10) in the query (biounit: 3hqp.bio8) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5Y8L NAD 2.0339
2 5Y8L HUI 2.0339
3 6BKA FMN 2.13904
4 2WET FAD 2.20441
5 5JFS 6K0 2.27273
6 1GV0 NAD 2.58065
7 5KKA 6V0 2.88462
8 9LDB NAD 3.01205
9 3JQ8 DX3 4.16667
10 5T67 JHZ 4.32692
11 1FUR MLT 4.71092
12 1UDB UFG 5.02959
13 1UDB NAD 5.02959
14 1QPG MAP 5.06024
15 1RC0 KT5 5.74163
16 1QG6 NAD 6.13027
17 1QG6 TCL 6.13027
18 4UXL 5P8 6.21118
19 2CYC TYR 6.66667
20 3HP8 SUC 7.27273
21 6BWL NAD 7.31707
22 5MZY 8EZ 7.54717
23 5K04 COA 8.21643
24 5YEC ATP 8.40336
25 2WG9 OCA 9.23077
26 3R96 ACO 10.1064
27 3R96 AMP 10.1064
28 1D4O NAP 11.413
29 2OOR TXP 11.4943
30 5TQZ GLC 16
Pocket No.: 11; Query (leader) PDB : 3HQP; Ligand: ATP; Similar sites found with APoc: 5
This union binding pocket(no: 11) in the query (biounit: 3hqp.bio8) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3IWK NAD 3.20641
2 1PIE GLA 5.01193
3 4QAG F95 6.01504
4 6A63 LAT 13.0435
5 1I7M PUT 20.8955
Pocket No.: 12; Query (leader) PDB : 3HQP; Ligand: OXL; Similar sites found with APoc: 36
This union binding pocket(no: 12) in the query (biounit: 3hqp.bio8) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3KC1 2T6 2.67062
2 2ZC0 PMP 2.7027
3 1GQG DCD 2.85714
4 2GU8 796 2.96736
5 4Z87 5GP 3.00601
6 3A5Z KAA 3.14136
7 5GM5 CBI 3.18182
8 3MF2 AMP