Receptor
PDB id Resolution Class Description Source Keywords
1A5U 2.35 Å EC: 2.7.1.40 PYRUVATE KINASE COMPLEX WITH BIS MG-ATP-NA-OXALATE ORYCTOLAGUS CUNICULUS PYRUVATE KINASE TRANSFERASE
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 D:2335;
F:4135;
G:4735;
C:1735;
A:535;
E:3535;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG A:534;
B:1134;
C:1734;
D:2334;
D:2336;
E:3534;
F:4134;
F:4136;
G:4734;
G:4736;
H:5334;
A:536;
C:1736;
E:3636;
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;
submit data
24.305 Mg [Mg+2...
NA 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
22.99 Na [Na+]
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 (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2G50 - PYR C3 H4 O3 CC(=O)C(=O....
2 3BJF - FBP C6 H14 O12 P2 C(C1C(C(C(....
3 4JPG - 1OX C16 H12 N4 O c1ccc2c(c1....
4 3N25 - PRO C5 H9 N O2 C1CC(NC1)C....
5 4G1N - NZT C24 H22 N6 O3 S c1cc2cccnc....
6 1A49 - OXL C2 O4 C(=O)(C(=O....
7 1A5U - OXL C2 O4 C(=O)(C(=O....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2G50 - PYR C3 H4 O3 CC(=O)C(=O....
2 3BJF - FBP C6 H14 O12 P2 C(C1C(C(C(....
3 4JPG - 1OX C16 H12 N4 O c1ccc2c(c1....
4 3N25 - PRO C5 H9 N O2 C1CC(NC1)C....
5 4G1N - NZT C24 H22 N6 O3 S c1cc2cccnc....
6 1A49 - OXL C2 O4 C(=O)(C(=O....
7 1A5U - OXL C2 O4 C(=O)(C(=O....
8 4IP7 - FBP C6 H14 O12 P2 C(C1C(C(C(....
9 4IMA - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2G50 - PYR C3 H4 O3 CC(=O)C(=O....
2 3BJF - FBP C6 H14 O12 P2 C(C1C(C(C(....
3 4JPG - 1OX C16 H12 N4 O c1ccc2c(c1....
4 3N25 - PRO C5 H9 N O2 C1CC(NC1)C....
5 4G1N - NZT C24 H22 N6 O3 S c1cc2cccnc....
6 1A49 - OXL C2 O4 C(=O)(C(=O....
7 1A5U - OXL C2 O4 C(=O)(C(=O....
8 3QV9 - QV7 C22 H16 N4 O13 S4 c1cc(ccc1N....
9 4IP7 - FBP C6 H14 O12 P2 C(C1C(C(C(....
10 4IMA - FLC C6 H5 O7 C(C(=O)[O-....
11 4HYW - FDP C6 H14 O12 P2 C(C1C(C(C(....
12 4KCU - MLT C4 H6 O5 C(C(C(=O)O....
13 4KCV - FDP C6 H14 O12 P2 C(C1C(C(C(....
14 4HYV - PEP C3 H5 O6 P C=C(C(=O)O....
15 4KCT - PYR C3 H4 O3 CC(=O)C(=O....
16 4KCW - OXL C2 O4 C(=O)(C(=O....
17 3HQP - FDP C6 H14 O12 P2 C(C1C(C(C(....
18 3QV8 - S62 C7 H5 N O6 S3 c1cc2c(cc1....
19 3PP7 - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 351
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 AGS 0.84 0.945946
10 SAP 0.84 0.945946
11 25L 0.809524 0.985915
12 APR 0.802632 0.971831
13 AR6 0.802632 0.971831
14 M33 0.8 0.958333
15 TAT 0.794872 0.958904
16 ACQ 0.794872 0.972222
17 AD9 0.792208 0.972222
18 ACP 0.789474 0.972222
19 A 0.788732 0.971429
20 AMP 0.788732 0.971429
21 ANP 0.772152 0.972222
22 ADX 0.753247 0.873418
23 CA0 0.753247 0.945205
24 A22 0.746988 0.985915
25 50T 0.74359 0.958333
26 PRX 0.734177 0.893333
27 APC 0.734177 0.958904
28 ABM 0.733333 0.917808
29 ATF 0.731707 0.958904
30 ITT 0.730769 0.943662
31 ADQ 0.729412 0.945205
32 AMP MG 0.72 0.891892
33 A12 0.714286 0.958904
34 AP2 0.714286 0.958904
35 A1R 0.709302 0.907895
36 SRA 0.706667 0.918919
37 5AL 0.698795 0.931507
38 OAD 0.693182 0.945205
39 ADP MG 0.6875 0.905405
40 AU1 0.6875 0.972222
41 SRP 0.682353 0.906667
42 G5P 0.680851 0.921053
43 ADP BEF 0.679012 0.881579
44 BEF ADP 0.679012 0.881579
45 25A 0.678161 0.971831
46 3OD 0.677778 0.945205
47 4AD 0.670455 0.92
48 G3A 0.670213 0.921053
49 00A 0.662921 0.883117
50 RBY 0.662651 0.932432
51 ADV 0.662651 0.932432
52 ADP PO3 0.662651 0.943662
53 BIS 0.659341 0.933333
54 GTA 0.65625 0.886076
55 ATP MG 0.654762 0.905405
56 UP5 0.653061 0.92
57 AMO 0.651685 0.932432
58 PAJ 0.651685 0.884615
59 2A5 0.650602 0.918919
60 MAP 0.647727 0.945946
61 3AT 0.647059 0.971831
62 AHX 0.644444 0.896104
63 DLL 0.644444 0.931507
64 PAP 0.642857 0.985714
65 ATR 0.642857 0.971429
66 PTJ 0.641304 0.896104
67 SON 0.634146 0.932432
68 A4P 0.633663 0.843373
69 ALF ADP 0.632184 0.87013
70 ADP ALF 0.632184 0.87013
71 PR8 0.630435 0.85
72 LAD 0.630435 0.860759
73 AFH 0.628866 0.884615
74 GAP 0.627907 0.893333
75 DTP 0.627907 0.905405
76 ANP MG 0.625 0.894737
77 ADP VO4 0.625 0.931507
78 TXA 0.623656 0.932432
79 NB8 0.623656 0.896104
80 ME8 0.623656 0.839506
81 FYA 0.623656 0.905405
82 1ZZ 0.623656 0.839506
83 T5A 0.621359 0.841463
84 RAB 0.619718 0.84507
85 XYA 0.619718 0.84507
86 ADN 0.619718 0.84507
87 AP0 0.607843 0.896104
88 FA5 0.604167 0.906667
89 YAP 0.604167 0.894737
90 NXX 0.60396 0.932432
91 NAI 0.60396 0.907895
92 TXD 0.60396 0.907895
93 NAX 0.60396 0.873418
94 DND 0.60396 0.932432
95 ADP BMA 0.602151 0.918919
96 A2R 0.6 0.985915
97 XAH 0.597938 0.839506
98 DAL AMP 0.593407 0.905405
99 AOC 0.592593 0.821918
100 DDS 0.590909 0.878378
101 139 0.590476 0.873418
102 CNA 0.584906 0.932432
103 6AD 0.58427 0.909091
104 5AS 0.583333 0.77907
105 5N5 0.581081 0.819444
106 4TC 0.576923 0.896104
107 ADJ 0.575472 0.851852
108 A4D 0.573333 0.819444
109 5CD 0.573333 0.805556
110 RGT 0.571429 0.958904
111 A3P 0.571429 0.971429
112 LAQ 0.568627 0.839506
113 YLP 0.563107 0.819277
114 UPA 0.561905 0.907895
115 AV2 0.56044 0.917808
116 COD 0.559633 0.811765
117 3AM 0.555556 0.929577
118 ATP A A A 0.555556 0.930556
119 A2P 0.552941 0.957143
120 TYM 0.552381 0.906667
121 NA7 0.552083 0.958904
122 EP4 0.551282 0.753247
123 MYR AMP 0.55102 0.817073
124 PPS 0.549451 0.873418
125 YLB 0.54717 0.819277
126 YLC 0.54717 0.839506
127 DAT 0.545455 0.905405
128 NAD 0.545455 0.931507
129 G5A 0.544444 0.77907
130 DTA 0.544304 0.786667
131 M2T 0.544304 0.734177
132 3DH 0.54321 0.773333
133 128 0.542857 0.776471
134 AHZ 0.538462 0.817073
135 GTP 0.537634 0.92
136 SSA 0.537634 0.8
137 MTA 0.5375 0.773333
138 IOT 0.537037 0.831325
139 A3D 0.535714 0.918919
140 7MD 0.533981 0.8625
141 AR6 AR6 0.533981 0.917808
142 YLA 0.53211 0.819277
143 IMO 0.529412 0.929577
144 AMP DBH 0.529412 0.893333
145 TAD 0.528846 0.884615
146 AYB 0.527273 0.809524
147 A5A 0.526882 0.807229
148 TSB 0.526316 0.819277
149 EAD 0.525424 0.873418
150 2AM 0.52439 0.943662
151 V3L 0.521739 0.971831
152 AVV 0.520833 0.896104
153 BTX 0.517857 0.841463
154 NAE 0.517241 0.894737
155 52H 0.515789 0.77907
156 54H 0.515789 0.788235
157 VMS 0.515789 0.788235
158 NSS 0.515464 0.8
159 BT5 0.513274 0.831325
160 NAQ 0.512821 0.871795
161 ZAS 0.511905 0.766234
162 A3N 0.511628 0.786667
163 53H 0.510417 0.77907
164 5CA 0.510417 0.8
165 ARU 0.510204 0.860759
166 LA8 ALF 3PG 0.509259 0.8375
167 AF3 ADP 3PG 0.509259 0.8375
168 ALF ADP 3PG 0.509259 0.8375
169 ZID 0.508475 0.918919
170 P1H 0.508197 0.851852
171 OVE 0.505882 0.905405
172 S4M 0.505747 0.666667
173 LPA AMP 0.504673 0.817073
174 7MC 0.504587 0.841463
175 DSZ 0.5 0.8
176 MAO 0.5 0.759036
177 DZD 0.5 0.884615
178 LSS 0.5 0.761364
179 DSH 0.5 0.725
180 FB0 0.5 0.804598
181 P5A 0.5 0.744444
182 NDE 0.495935 0.932432
183 N0B 0.495798 0.819277
184 YLY 0.495726 0.809524
185 M24 0.495726 0.85
186 NJP 0.495575 0.945946
187 NVA LMS 0.494949 0.761364
188 MGP 0.494737 0.884615
189 6C6 0.494624 0.881579
190 NAJ PZO 0.491379 0.848101
191 0WD 0.491228 0.921053
192 LEU LMS 0.49 0.761364
193 6FA 0.488189 0.841463
194 5AD 0.486842 0.746479
195 GSU 0.485149 0.77907
196 KAA 0.485149 0.752809
197 A3G 0.482759 0.8
198 NEC 0.482759 0.746667
199 ODP 0.482456 0.909091
200 NAD IBO 0.482456 0.87013
201 FAS 0.48062 0.851852
202 FAD 0.48062 0.851852
203 FDA 0.480315 0.833333
204 N6P 0.48 0.915493
205 2SA 0.479167 0.932432
206 GP3 0.478723 0.921053
207 G A A A 0.478261 0.871795
208 SFG 0.478261 0.75
209 4TA 0.478261 0.807229
210 NDP 0.477876 0.921053
211 NPW 0.477876 0.886076
212 NDC 0.47619 0.871795
213 YSA 0.47619 0.77907
214 MGO 0.474227 0.860759
215 TXP 0.473684 0.921053
216 6IA 0.473684 0.8375
217 NZQ 0.473684 0.909091
218 GDP 0.473684 0.92
219 A7D 0.472527 0.776316
220 SFD 0.469231 0.734043
221 A5D 0.468085 0.786667
222 SA8 0.468085 0.707317
223 12D 0.46789 0.785714
224 PGS 0.467391 0.883117
225 MHZ 0.467391 0.697674
226 DA 0.465909 0.878378
227 D5M 0.465909 0.878378
228 GGZ 0.464646 0.825
229 SAH 0.463158 0.74359
230 SAI 0.463158 0.734177
231 NAJ PYZ 0.46281 0.85
232 FAY 0.462687 0.8625
233 PO4 PO4 A A A A PO4 0.460784 0.902778
234 AAM 0.460674 0.971429
235 RFL 0.459259 0.821429
236 SMM 0.459184 0.686047
237 AMZ 0.458824 0.916667
238 C2R 0.458824 0.90411
239 SAM 0.458333 0.690476
240 A3S 0.456522 0.810811
241 FNK 0.455224 0.804598
242 AAT 0.453608 0.707317
243 EEM 0.453608 0.690476
244 AIR 0.451219 0.901408
245 GSP 0.45 0.873418
246 DCA 0.45 0.823529
247 ETB 0.45 0.833333
248 NIA 0.448276 0.822785
249 AMP NAD 0.447154 0.881579
250 A3T 0.446809 0.821918
251 A A A 0.446602 0.905405
252 K15 0.446602 0.682353
253 PUA 0.446281 0.884615
254 6K6 0.445545 0.930556
255 GEK 0.445545 0.7375
256 S7M 0.444444 0.690476
257 1DG 0.443548 0.921053
258 DG1 0.443548 0.921053
259 Z5A 0.443548 0.77907
260 COA 0.442623 0.823529
261 WSA 0.442478 0.788235
262 8BR 0.43956 0.906667
263 101 0.438202 0.878378
264 IDP 0.4375 0.918919
265 NAP 0.435484 0.945205
266 APU 0.434783 0.894737
267 A U 0.434783 0.87013
268 PA7 0.434783 0.708861
269 7RP 0.433333 0.928571
270 A6D 0.432692 0.722892
271 J7V 0.432 0.833333
272 AMX 0.432 0.833333
273 CAO 0.432 0.795455
274 30N 0.432 0.752688
275 COS 0.432 0.804598
276 TAP 0.432 0.907895
277 V1N 0.431193 0.917808
278 P5F 0.429577 0.823529
279 NA0 0.428571 0.932432
280 SCO 0.428571 0.823529
281 7RA 0.428571 0.957747
282 CMX 0.428571 0.823529
283 GAV 0.427184 0.884615
284 0UM 0.427184 0.698795
285 QQY 0.426966 0.815789
286 1RB 0.426966 0.885714
287 ACK 0.426966 0.861111
288 GCP 0.425743 0.896104
289 G1R 0.425743 0.907895
290 ACO 0.425197 0.795455
291 FCX 0.425197 0.795455
292 FAM 0.425197 0.804598
293 GNH 0.424242 0.907895
294 F2N 0.423611 0.813953
295 GDC 0.422018 0.884615
296 GDD 0.422018 0.884615
297 GKE 0.422018 0.884615
298 HAX 0.421875 0.804598
299 3AD 0.421687 0.805556
300 GNP 0.421569 0.896104
301 FA9 0.42069 0.864198
302 TM1 0.420561 0.77381
303 2MC 0.419847 0.769231
304 FYN 0.418605 0.823529
305 26A 0.416667 0.763158
306 NHD 0.416667 0.905405
307 2VA 0.416667 0.8
308 QQX 0.41573 0.805195
309 OXK 0.415385 0.804598
310 SOP 0.415385 0.804598
311 CA6 0.415385 0.729167
312 COK 0.415385 0.804598
313 MCD 0.415385 0.804598
314 YE1 0.413534 0.813953
315 RMB 0.413043 0.873239
316 FAI 0.413043 0.916667
317 CO6 0.412214 0.804598
318 NMX 0.412214 0.76087
319 1VU 0.412214 0.795455
320 CMC 0.412214 0.804598
321 ANZ 0.410714 0.8
322 SCA 0.410448 0.804598
323 PLP AAD 0.409836 0.741573
324 SCD 0.409091 0.823529
325 CAJ 0.409091 0.804598
326 NVA 2AD 0.408163 0.74359
327 D3Y 0.407767 0.789474
328 NOS 0.407407 0.791667
329 U G A 0.407407 0.839506
330 CC5 0.407407 0.816901
331 KH3 0.40708 0.674419
332 SLU 0.406504 0.770115
333 5GP 0.40625 0.906667
334 G 0.40625 0.906667
335 3HC 0.406015 0.813953
336 1HE 0.406015 0.786517
337 MLC 0.406015 0.804598
338 GTG 0.405405 0.886076
339 NMN AMP PO4 0.404959 0.87013
340 3D1 0.404762 0.773333
341 3L1 0.404762 0.773333
342 CMP 0.404255 0.901408
343 2BA 0.404255 0.915493
344 MCA 0.402985 0.795455
345 CAA 0.402985 0.813953
346 3NZ 0.401869 0.782051
347 G2R 0.401869 0.884615
348 2CP 0.4 0.795455
349 ZZB 0.4 0.77381
350 MC4 0.4 0.76087
351 2FA 0.4 0.813333
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: PYR; 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 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 2; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found: 11
This union binding pocket(no: 2) in the query (biounit: 2g50.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1O68 KIV 0.005028 0.45335
2 1O68 KIV 0.005028 0.45335
3 1JQN DCO 0.00742 0.43072
4 4NAE 1GP 0.0236 0.41547
5 1UJP CIT 0.009041 0.41532
6 4TX6 38B 0.01944 0.41367
7 1VDN ACE ALA ALA PRO ALA MCM 0.03164 0.41152
8 3DGB MUC 0.02069 0.40855
9 3DGB MUC 0.02069 0.40855
10 4TX6 38B 0.01911 0.40673
11 2WSI FAD 0.01141 0.40132
Pocket No.: 3; 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: 3) in the query (biounit: 2g50.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 4; 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: 4) in the query (biounit: 2g50.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 5; 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: 5) in the query (biounit: 2g50.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 7; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found: 14
This union binding pocket(no: 7) in the query (biounit: 2g50.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1Y8E SVR 0.001834 0.44945
2 4ORM 2V6 0.04434 0.41813
3 4ORM FMN 0.04327 0.41813
4 4ORM ORO 0.04327 0.41813
5 1PME SB2 0.03541 0.41566
6 1HV9 COA 0.02133 0.41043
7 2BSA FAD 0.04735 0.40953
8 2BSA NAP 0.04876 0.40953
9 4MXO DB8 0.04909 0.40868
10 2BEK ATP 0.03172 0.40804
11 1JG3 VAL TYR PRO IAS HIS ALA 0.04416 0.40414
12 3O9L LPN 0.04548 0.40259
13 2CWH PYC 0.03648 0.40182
14 2CWH NDP 0.03177 0.40039
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 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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)
Pocket No.: 10; Query (leader) PDB : 2G50; Ligand: PYR; Similar sites found: 152
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)
1 4B5W PYR 0.0002821 0.53206
2 4L9Z OXL 0.0008372 0.50019
3 4L9Z COA 0.0008867 0.50019
4 2V5K OXM 0.000104 0.49599
5 1KC7 PPR 0.0001152 0.49487
6 1KC7 PPR 0.0001152 0.49487
7 2XZ9 PYR 0.0002439 0.4936
8 3CV2 OXL 0.00009253 0.4808
9 3CV2 OXL 0.00009115 0.48053
10 1EE0 CAA 0.001808 0.47398
11 4L80 OXL 0.0001682 0.4725
12 1VBH PEP 0.000668 0.46599
13 4NMC 2OP 0.004193 0.46142
14 4NMC FAD 0.004378 0.46142
15 1FFU CDP 0.005799 0.45896
16 4B2Z P5S 0.006361 0.45854
17 2VWT PYR 0.0005482 0.45621
18 4B2Z P5S 0.007059 0.45545
19 1LBL 137 0.003181 0.45376
20 3E85 BSU 0.006599 0.45146
21 3HAZ FAD 0.004833 0.45074
22 3LF0 ATP 0.003122 0.44916
23 1P7T PYR 0.0001783 0.4478
24 4O8A FAD 0.006229 0.44572
25 4O8A FAD 0.006229 0.44572
26 4H6Q FAD 0.003814 0.44427
27 4H6Q TFB 0.004318 0.44427
28 1N8I GLV 0.00119 0.44388
29 1U08 PLP 0.002582 0.44264
30 1IZC PYR 0.0001114 0.44259
31 3EFS BTN 0.00572 0.44228
32 1LBF 137 0.006488 0.44172
33 3AWJ COA 0.003657 0.44059
34 1TIW TFB 0.01046 0.43994
35 1TIW FAD 0.01046 0.43994
36 1TIW FAD 0.01046 0.43994
37 1TIW TFB 0.01046 0.43994
38 3G6K POP 0.006815 0.43882
39 3G6K FAD 0.007168 0.43882
40 1D6H COA 0.01401 0.43595
41 1XJD STU 0.005546 0.43542
42 4H6Q TFB 0.006796 0.43505
43 4H6Q FAD 0.005729 0.43505
44 2Y7G AAE 0.005934 0.43342
45 4DQ2 BTX 0.01373 0.43341
46 3HBN UDP 0.005206 0.43311
47 2G37 FAD 0.004923 0.43235
48 3H22 B53 0.004195 0.43159
49 1C9K 5GP 0.00334 0.42998
50 1U7Z PMT 0.01926 0.42963
51 4QIJ 1HA 0.03502 0.4276
52 1P7T PYR 0.0005157 0.4262
53 1PIG AGL GLC HMC AGL GLC BGC 0.01876 0.42583
54 3CQD ATP 0.01729 0.4258
55 1HYE NAP 0.009854 0.42578
56 2J9D ADP 0.01136 0.42433
57 3MJY IJZ 0.01661 0.4237
58 3MJY FMN 0.01661 0.4237
59 4JD3 PLM 0.02229 0.42363
60 4JD3 COA 0.02229 0.42363
61 2JFZ 003 0.03815 0.42314
62 3O0Q GDP 0.02957 0.42293
63 3O0Q TTP 0.02892 0.42293
64 3O0Q ADN 0.02957 0.42293
65 2JFZ DGL 0.03841 0.42287
66 3TXO 07U 0.008526 0.42255
67 3TXO 07U 0.008526 0.42255
68 3CF6 SP1 0.01379 0.42244
69 3CF6 SP1 0.01379 0.42244
70 4QIJ 1HA 0.04963 0.42174
71 1V3S ATP 0.01435 0.42148
72 1V0O INR 0.01095 0.4214
73 3OIX FMN 0.01302 0.42123
74 3OIX FMN 0.01302 0.42123
75 4JD3 PLM 0.02314 0.42072
76 4JD3 COA 0.0224 0.42072
77 1V0O INR 0.01126 0.42061
78 1U7Z PMT 0.02556 0.42018
79 3C3N FMN 0.02134 0.41987
80 2Q8Z NUP 0.01228 0.41945
81 4GID 0GH 0.01859 0.41909
82 4GA6 AMP 0.007937 0.41882
83 2WME NAP 0.01413 0.41843
84 3UWV 2PG 0.01643 0.41811
85 2WU6 DKI 0.01468 0.41783
86 1MZV AMP 0.009197 0.41782
87 1FDJ 2FP 0.008889 0.4168
88 4V27 MAN IFM 0.02615 0.41617
89 2J3M ATP 0.01391 0.41448
90 1AD4 HH2 0.009305 0.41378
91 1VJY 460 0.02115 0.41341
92 1QS0 TDP 0.019 0.41339
93 1OVD FMN 0.03081 0.41232
94 1OVD ORO 0.03081 0.41232
95 4LZJ 22H 0.0275 0.41212
96 1JQN DCO 0.0003029 0.41207
97 4BHN BH9 0.01817 0.41193
98 2X34 UQ8 0.04557 0.41153
99 3O0G 3O0 0.0137 0.41123
100 1N07 ADP 0.02353 0.41064
101 1ERB ETR 0.02017 0.41006
102 4K38 SAM 0.01546 0.40991
103 1M5W DXP 0.04171 0.40973
104 1M5W DXP 0.04171 0.40973
105 3UXL CFI 0.03955 0.40912
106 4I42 1HA 0.02128 0.40863
107 2BUP ADP 0.02312 0.40847
108 2BUP ATP 0.02312 0.40847
109 3W7T BMA 0.0211 0.40823
110 4C2V YJA 0.02101 0.40814
111 3MVH WFE 0.03735 0.40813
112 3E2M E2M 0.04259 0.40799
113 3TKI S25 0.02516 0.4073
114 3E2M E2M 0.01607 0.40719
115 3DLS ADP 0.01464 0.40688
116 3DLS ADP 0.01351 0.40678
117 3GE7 AFQ 0.03086 0.40671
118 1XAJ NAD 0.04207 0.40669
119 1XAJ CRB 0.04207 0.40669
120 3MF2 AMP 0.01775 0.40636
121 4QTC 38Z 0.03028 0.40555
122 1XAJ CRB 0.04121 0.40545
123 3EWC MCF 0.0143 0.40542
124 3DLS ADP 0.01611 0.40517
125 4I9A NCN 0.01945 0.4049
126 3RJ5 NAD 0.04263 0.40391
127 3SUD SUE 0.02182 0.40388
128 4JNA FAD 0.04378 0.40379
129 3S5Y DGJ 0.01743 0.40351
130 1XD1 6SA 0.04029 0.40316
131 2BGS NDP 0.03758 0.40316
132 3QFU ADP 0.01811 0.40313
133 2B4G FMN 0.03132 0.40271
134 1XKD NAP 0.03612 0.40264
135 3SUD SUE 0.02618 0.40259
136 2WQP WQP 0.03905 0.40239
137 3FMI KAP 0.03331 0.40212
138 2IV3 UDP 0.03123 0.40209
139 4JEJ 1GP 0.01619 0.40196
140 4JLS 3ZE 0.02679 0.40177
141 2PI8 NAG NAG NAG NAG NAG NAG 0.04348 0.40148
142 2WTV ZZL 0.03332 0.4014
143 3TYZ XHP 0.02982 0.40133
144 1R6W 164 0.02433 0.40124
145 3ATV ADP 0.02486 0.4009
146 2AK3 AMP 0.01271 0.40062
147 3LL5 IPE 0.04656 0.40053
148 3LL5 ADP 0.04656 0.40053
149 1LUA NAP 0.02823 0.40051
150 1DBT U5P 0.01967 0.40044
151 4H2W AMP 0.01491 0.40042
152 1XRO LEU 0.03846 0.40035
Pocket No.: 11; Query (leader) PDB : 2G50; Ligand: ALA; Similar sites found: 24
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)
1 3COW 52H 0.01834 0.4353
2 1SB8 NAD 0.04037 0.42029
3 1SB8 UD2 0.04516 0.42029
4 4LXQ FON 0.03056 0.41648
5 4LXQ TYD 0.03056 0.41648
6 4D86 ADP 0.01535 0.41528
7 2FXV 5GP 0.01951 0.41506
8 4KRI SAH 0.01724 0.41384
9 1NAA 6FA 0.04577 0.41366
10 4KRI SAH 0.01909 0.41315
11 2XGT NSS 0.02501 0.41274
12 4KRI SAH 0.02007 0.41196
13 1NAA 6FA 0.04902 0.41127
14 3MB5 SAM 0.02288 0.41059
15 2PHN GDP 0.02369 0.40938
16 1EU1 MGD 0.04959 0.40807
17 3GBR PRP 0.03964 0.40729
18 1OIX GDP 0.03064 0.40725
19 1EJB INJ 0.01982 0.40645
20 1H74 ADP 0.04321 0.40633
21 3F4F UMP 0.01823 0.40622
22 1NV8 SAM 0.03838 0.4029
23 3LU1 NAD 0.04347 0.40208
24 3LU1 NAD 0.04856 0.40041
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)
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)
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)
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)
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)
Feedback