Receptor
PDB id Resolution Class Description Source Keywords
1A49 2.1 Å EC: 2.7.1.40 BIS MG-ATP-K-OXALATE COMPLEX OF PYRUVATE KINASE ORYCTOLAGUS CUNICULUS TRANSFERASE PYRUVATE KINASE RABBIT MUSCLE DOMAIN MOVEMENT POTASSIUM BINDING
Ref.: STRUCTURE OF THE BIS(MG2+)-ATP-OXALATE COMPLEX OF THE RABBIT MUSCLE PYRUVATE KINASE AT 2.1 A RESOLUTION: ATP BINDING OVER A BARREL. BIOCHEMISTRY V. 37 6247 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:535;
D:2335;
F:4135;
G:4735;
C:1735;
E:3535;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
K A:532;
B:1132;
C:1732;
D:2332;
E:3532;
F:4132;
G:4732;
H:5332;
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;
submit data
39.098 K [K+]
MG A:534;
A:536;
B:1134;
C:1734;
D:2334;
D:2336;
E:3534;
F:4134;
F:4136;
G:4734;
G:4736;
H:5334;
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;
submit data
24.305 Mg [Mg+2...
OXL A:533;
B:1133;
C:1733;
D:2333;
E:3533;
F:4133;
G:4733;
H:5333;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
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
2G50 1.65 Å EC: 2.7.1.40 THE LOCATION OF THE ALLOSTERIC AMINO ACID BINDING SITE OF MU PYRUVATE KINASE. ORYCTOLAGUS CUNICULUS ALLOSTERY PYRUVATE KINASE GLYCOLYSIS KINASE PHOSPHORYL TTRANSFERASE
Ref.: DIFFERENTIATING A LIGAND'S CHEMICAL REQUIREMENTS FO ALLOSTERIC INTERACTIONS FROM THOSE FOR PROTEIN BIND PHENYLALANINE INHIBITION OF PYRUVATE KINASE. BIOCHEMISTRY V. 45 5421 2006
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 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....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 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 4IP7 - FBP C6 H14 O12 P2 C([C@@H]1[....
11 4IMA - FLC C6 H5 O7 C(C(=O)[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: 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 : 2G50; Ligand: ALA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2g50.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2g50.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found: 13
This union binding pocket(no: 3) in the query (biounit: 2g50.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BSA NAP 0.04876 0.40953 2.31023
2 2BSA FAD 0.04735 0.40953 2.31023
3 1HV9 COA 0.02133 0.41043 2.85088
4 4ORM 2V6 0.04434 0.41813 2.99252
5 4ORM ORO 0.04434 0.41813 2.99252
6 4ORM FMN 0.04434 0.41813 2.99252
7 5BVE 4VG 0.02732 0.42727 3.04709
8 2CWH PYC 0.03648 0.40182 3.79009
9 2CWH NDP 0.03177 0.40039 3.79009
10 2BEK ATP 0.03172 0.40804 4.66926
11 4RSL FAD 0.0248 0.41362 5.61798
12 3O9L LPN 0.04548 0.40259 6.62651
13 1CLU DBG 0.04992 0.40131 31.9277
Pocket No.: 4; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2g50.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found: 10
This union binding pocket(no: 5) in the query (biounit: 2g50.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JQN DCO 0.00742 0.43072 2.45283
2 4NAE 1GP 0.0236 0.41547 3.11111
3 4TX6 38B 0.01911 0.40673 3.87097
4 3DGB MUC 0.02069 0.40855 4.97382
5 1VDN ACE ALA ALA PRO ALA MCM 0.03164 0.41152 5.55556
6 2WSI FAD 0.01141 0.40132 5.55556
7 1O68 KIV 0.005028 0.45335 5.81818
8 5NBW 8SK 0.007874 0.42944 6.07477
9 1UJP CIT 0.009041 0.41532 6.27306
10 5M0T AKG 0.012 0.435 13.6054
Pocket No.: 6; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2g50.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2g50.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2g50.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2g50.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found: 145
This union binding pocket(no: 10) in the query (biounit: 2g50.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3EWC MCF 0.0143 0.40542 1.34771
2 4JNA FAD 0.04378 0.40379 1.47059
3 3H22 B53 0.004195 0.43159 1.6835
4 3CV2 OXL 0.00009253 0.4808 1.69811
5 3MF2 AMP 0.01775 0.40636 1.7341
6 1AD4 HH2 0.009305 0.41378 1.8797
7 1P7T PYR 0.0005157 0.4262 1.88679
8 3W7T BMA 0.02221 0.41124 1.88679
9 3CQD ATP 0.01729 0.4258 1.94175
10 4JD3 PLM 0.02229 0.42363 1.983
11 4JD3 COA 0.02086 0.42363 1.983
12 4RW3 IPD 0.0111 0.40059 1.98676
13 1EE0 CAA 0.001808 0.47398 1.99005
14 1PIG AGL GLC HMC AGL GLC BGC 0.01876 0.42583 2.01613
15 4RFM 3P6 0.0166 0.43586 2.25564
16 2Y7G AAE 0.005934 0.43342 2.26415
17 3OIX FMN 0.01302 0.42123 2.31884
18 1D6H COA 0.01401 0.43595 2.32558
19 4OTH DRN 0.006996 0.43231 2.34604
20 2WU6 DKI 0.01468 0.41783 2.3622
21 1V0O INR 0.01095 0.4214 2.43056
22 4NMC 2OP 0.004193 0.46142 2.45283
23 4NMC FAD 0.004378 0.46142 2.45283
24 5X30 4LM 0.02201 0.40167 2.51256
25 5X30 7XF 0.0237 0.40011 2.51256
26 2B4G FMN 0.03132 0.40271 2.52366
27 4QIJ 1HA 0.03502 0.4276 2.69461
28 2X34 UQ8 0.04557 0.41153 2.76243
29 4YZN 4K5 0.006722 0.43965 2.78746
30 4I42 1HA 0.02128 0.40863 2.80702
31 3LL5 ADP 0.04656 0.40053 2.81124
32 3LL5 IPE 0.04656 0.40053 2.81124
33 1U08 PLP 0.002582 0.44264 2.84974
34 2WME NAP 0.01413 0.41843 2.85714
35 5U3F 7TS 0.02811 0.40392 2.98913
36 3S5Y DGJ 0.01743 0.40351 3.01508
37 3HAZ FAD 0.004833 0.45074 3.01887
38 1XRO LEU 0.03846 0.40035 3.07167
39 1LUA NAP 0.02823 0.40051 3.13589
40 1OVD FMN 0.03081 0.41232 3.21543
41 1OVD ORO 0.03081 0.41232 3.21543
42 5ULJ 0WD 0.008596 0.42985 3.2419
43 4K38 SAM 0.01546 0.40991 3.24324
44 4BHN BH9 0.01491 0.41557 3.29341
45 3QFU ADP 0.01811 0.40313 3.29949
46 1DBT U5P 0.01967 0.40044 3.34728
47 3SUD SUE 0.02182 0.40388 3.44828
48 1XKD NAP 0.03612 0.40264 3.44828
49 3DLS ADP 0.01611 0.40517 3.58209
50 2G37 FAD 0.004923 0.43235 3.58491
51 3TXO 07U 0.008526 0.42255 3.68272
52 2XZ9 PYR 0.0002439 0.4936 3.7037
53 4GA6 AMP 0.007937 0.41882 3.7037
54 1R6W 164 0.02433 0.40124 3.72671
55 5WX3 COA 0.008657 0.42996 3.77358
56 3HBN UDP 0.005206 0.43311 3.90071
57 2BUP ADP 0.02312 0.40847 3.93701
58 2BUP ATP 0.02312 0.40847 3.93701
59 4WB7 ATP 0.0338 0.41059 3.95062
60 1KC7 PPR 0.0001152 0.49487 3.96226
61 4DQ2 BTX 0.01373 0.43341 3.96341
62 1LBF 137 0.006488 0.44172 4.04858
63 1XJD STU 0.006021 0.43542 4.05797
64 5UOX 8GY 0.01524 0.41881 4.05904
65 2J9D ADP 0.01136 0.42433 4.20168
66 1C9K 5GP 0.00334 0.42998 4.44444
67 5DRB 5FJ 0.04555 0.41096 4.46735
68 5LI1 ANP 0.01135 0.42492 4.51977
69 4C2V YJA 0.02101 0.40814 4.5614
70 4WB6 ATP 0.02343 0.41012 4.57143
71 4L80 OXL 0.0001682 0.4725 4.5977
72 4JLS 3ZE 0.02679 0.40177 4.60526
73 2PI8 NAG NAG NAG NAG NAG NAG 0.04348 0.40148 4.63768
74 3O0Q TTP 0.02892 0.42293 4.71698
75 3O0Q ADN 0.02957 0.42293 4.71698
76 3O0Q GDP 0.02957 0.42293 4.71698
77 3EFS BTN 0.00572 0.44228 4.72103
78 3RJ5 NAD 0.04263 0.40391 4.72441
79 3HF3 FMN 0.03275 0.42484 4.87106
80 5KF6 TFB 0.006048 0.44871 4.90566
81 5KF6 FAD 0.006048 0.44871 4.90566
82 1N07 ADP 0.02353 0.41064 4.90798
83 1ERB ETR 0.02017 0.41006 4.91803
84 1FDJ 2FP 0.008889 0.4168 4.95868
85 1QS0 TDP 0.019 0.41339 5.02959
86 4B2Z P5S 0.007059 0.45545 5.13393
87 3LF0 ATP 0.003122 0.44916 5.26316
88 2IV3 UDP 0.03123 0.40209 5.26316
89 2AK3 AMP 0.01271 0.40062 5.30973
90 4RL0 3S0 0.0226 0.40369 5.3719
91 4X7Q 3YR 0.01353 0.41048 5.44872
92 1VJY 460 0.02436 0.41479 5.61056
93 4I9A NCN 0.01945 0.4049 5.90278
94 4TUO SIA GAL SIA GLC NGA 0.0225 0.40532 5.90909
95 4GID 0GH 0.01859 0.41909 5.92783
96 3E2M E2M 0.01607 0.40719 5.94595
97 2J3M ATP 0.01391 0.41448 6.03774
98 4QMN DB8 0.02534 0.41984 6.12903
99 1XAJ NAD 0.04207 0.40669 6.21469
100 1XAJ CRB 0.04207 0.40669 6.21469
101 2VWT PYR 0.0005482 0.45621 6.36704
102 4O8A FAD 0.006229 0.44572 6.41509
103 1TIW FAD 0.01046 0.43994 6.41509
104 1TIW TFB 0.01046 0.43994 6.41509
105 3AWJ COA 0.003657 0.44059 6.46766
106 3UXL CFI 0.03955 0.40912 6.52742
107 3MVH WFE 0.03004 0.40813 6.72515
108 1X1Z BMP 0.03214 0.41538 6.74603
109 1VBH PEP 0.000668 0.46599 6.79245
110 5A3T MMK 0.022 0.41858 7.06861
111 5M42 FMN 0.002199 0.44697 7.16846
112 3FMI KAP 0.03331 0.40212 7.17131
113 3MJY FMN 0.01661 0.4237 7.22543
114 3MJY IJZ 0.01661 0.4237 7.22543
115 5A5W GUO 0.03926 0.40848 7.50988
116 1MZV AMP 0.009197 0.41782 7.65957
117 4H6Q TFB 0.006796 0.43505 7.69231
118 4H6Q FAD 0.005729 0.43505 7.69231
119 3C3N FMN 0.02134 0.41987 8.33333
120 2WQP WQP 0.03905 0.40239 8.59599
121 3G6K FAD 0.007168 0.43882 8.76623
122 3G6K POP 0.006815 0.43882 8.76623
123 1U7Z PMT 0.01926 0.42963 8.84956
124 3UWV 2PG 0.01643 0.41811 9.1954
125 3O0G 3O0 0.0137 0.41123 9.39597
126 4L9Z COA 0.0008867 0.50019 9.43953
127 4L9Z OXL 0.0008372 0.50019 9.43953
128 4JEJ 1GP 0.01619 0.40196 9.83607
129 4WNP 3RJ 0.004546 0.44025 10.1045
130 3CY2 MB9 0.01167 0.42464 10.1911
131 1HYE NAP 0.009854 0.42578 10.5431
132 1IZC PYR 0.0001114 0.44259 10.6195
133 4MNS 2AX 0.04972 0.40754 10.6918
134 1FFU CDP 0.005799 0.45896 11.0429
135 2V5K OXM 0.000104 0.49599 11.4983
136 4H2W AMP 0.01491 0.40042 11.6505
137 4LZJ 22H 0.0275 0.41212 12.2112
138 2Q8Z NUP 0.01228 0.41945 12.8655
139 4B5W PYR 0.0002821 0.53206 12.8906
140 3CF6 SP1 0.01379 0.42244 13.7725
141 3E85 BSU 0.006599 0.45146 13.9241
142 1M5W DXP 0.04171 0.40973 17.6955
143 5UKL SIX 0.02582 0.40727 19.3548
144 2BGS NDP 0.03758 0.40316 19.4767
145 1V3S ATP 0.01435 0.42148 19.8276
Pocket No.: 11; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found: 25
This union binding pocket(no: 11) in the query (biounit: 2g50.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ADC PLP 0.03434 0.40185 1.72414
2 5THY SAH 0.02216 0.40891 1.7284
3 2XGT NSS 0.02501 0.41274 1.83908
4 4KRI SAH 0.02007 0.41196 2.30947
5 1H74 ADP 0.04321 0.40633 2.36486
6 1EU1 MGD 0.04959 0.40807 2.64151
7 3LU1 NAD 0.04347 0.40208 2.74725
8 2FXV 5GP 0.01951 0.41506 3.09278
9 4D86 ADP 0.01535 0.41528 3.37349
10 3GBR PRP 0.03964 0.40729 3.47826
11 1NV8 SAM 0.03838 0.4029 3.52113
12 4OOP DUP 0.0332 0.40087 4.21687
13 3MB5 SAM 0.02288 0.41059 4.70588
14 3F4F UMP 0.01823 0.40622 5.38922
15 5CIC 51R 0.004567 0.41204 5.55556
16 1NAA 6FA 0.04902 0.41127 5.66038
17 1SB8 UD2 0.04516 0.42029 6.81818
18 1SB8 NAD 0.04037 0.42029 6.81818
19 5A5W GUO 0.04619 0.41036 7.50988
20 2PHN GDP 0.02369 0.40938 9.44882
21 4LXQ FON 0.03056 0.41648 9.48905
22 4LXQ TYD 0.03056 0.41648 9.48905
23 1EJB INJ 0.01982 0.40645 9.52381
24 5CUQ NSC 0.02346 0.42022 11.6105
25 5UKL SIX 0.03522 0.40351 19.3548
Pocket No.: 12; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2g50.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 2g50.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 2g50.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 2g50.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 2g50.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback