Receptor
PDB id Resolution Class Description Source Keywords
4IP7 1.8 Å EC: 2.7.1.40 STRUCTURE OF THE S12D VARIANT OF HUMAN LIVER PYRUVATE KINASE COMPLEX WITH CITRATE AND FBP. HOMO SAPIENS KINASE GLYCOLYSIS ALLOSTERIC PHOSPHORYLATION MIMIC LIVERTRANSFERASE
Ref.: ENERGETIC COUPLING BETWEEN AN OXIDIZABLE CYSTEINE A PHOSPHORYLATABLE N-TERMINUS OF HUMAN LIVER PYRUVATE BIOCHEMISTRY V. 52 466 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO D:606;
B:606;
B:604;
C:601;
D:605;
D:607;
A:604;
A:605;
C:607;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FBP A:603;
D:603;
C:604;
B:603;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
340.116 C6 H14 O12 P2 C([C@...
FLC A:602;
B:602;
C:603;
D:602;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
189.1 C6 H5 O7 C(C(=...
NA C:608;
A:607;
B:607;
D:608;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
1PE C:606;
C:605;
Invalid;
Invalid;
none;
none;
submit data
238.278 C10 H22 O6 C(COC...
MN A:601;
C:602;
B:601;
D:601;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
ADN D:604;
Valid;
none;
submit data
267.241 C10 H13 N5 O4 c1nc(...
PEG B:605;
A:606;
Invalid;
Invalid;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IP7 1.8 Å EC: 2.7.1.40 STRUCTURE OF THE S12D VARIANT OF HUMAN LIVER PYRUVATE KINASE COMPLEX WITH CITRATE AND FBP. HOMO SAPIENS KINASE GLYCOLYSIS ALLOSTERIC PHOSPHORYLATION MIMIC LIVERTRANSFERASE
Ref.: ENERGETIC COUPLING BETWEEN AN OXIDIZABLE CYSTEINE A PHOSPHORYLATABLE N-TERMINUS OF HUMAN LIVER PYRUVATE BIOCHEMISTRY V. 52 466 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4IP7 - FBP C6 H14 O12 P2 C([C@@H]1[....
2 4IMA - FLC C6 H5 O7 C(C(=O)[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: FBP; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 FBP 1 1
2 AFP 1 1
3 F1X 0.744186 0.954545
4 TA6 0.666667 0.954545
5 F6P 0.666667 0.954545
6 FDP 0.462963 0.954545
7 OI7 0.448276 0.976744
8 F1P 0.418182 0.847826
9 AHG 0.404255 0.930233
Ligand no: 2; Ligand: FLC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
2 FE CIT 0.95 0.875
Ligand no: 3; Ligand: ADN; Similar ligands found: 286
No: Ligand ECFP6 Tc MDL keys Tc
1 XYA 1 1
2 ADN 1 1
3 RAB 1 1
4 5N5 0.811321 0.967742
5 5CD 0.796296 0.920635
6 A4D 0.796296 0.967742
7 MTA 0.758621 0.878788
8 EP4 0.754386 0.852941
9 M2T 0.741379 0.828571
10 DTA 0.741379 0.865672
11 AMP 0.709677 0.842857
12 A 0.709677 0.842857
13 3DH 0.704918 0.878788
14 ZAS 0.68254 0.84058
15 5AD 0.672727 0.854839
16 6RE 0.671875 0.830986
17 SRA 0.671875 0.797297
18 AMP MG 0.661538 0.819444
19 DSH 0.661538 0.842857
20 AOC 0.661538 0.907692
21 7D7 0.660714 0.875
22 A3N 0.651515 0.923077
23 A2D 0.651515 0.84507
24 ABM 0.651515 0.819444
25 J7C 0.651515 0.842857
26 ADP 0.647059 0.84507
27 S4M 0.641791 0.766234
28 GJV 0.641791 0.819444
29 3AM 0.640625 0.828571
30 AN2 0.637681 0.833333
31 A12 0.632353 0.810811
32 AP2 0.632353 0.810811
33 BA3 0.632353 0.84507
34 MAO 0.632353 0.75641
35 Y3J 0.627119 0.828125
36 AP5 0.623188 0.84507
37 5AS 0.623188 0.714286
38 B4P 0.623188 0.84507
39 ATP 0.619718 0.84507
40 5X8 0.619718 0.865672
41 SON 0.614286 0.786667
42 A7D 0.614286 0.909091
43 APC 0.611111 0.810811
44 AQP 0.611111 0.84507
45 5FA 0.611111 0.84507
46 2FA 0.606557 0.924242
47 26A 0.606557 0.893939
48 M33 0.605634 0.833333
49 CA0 0.605634 0.821918
50 AU1 0.605634 0.821918
51 MHZ 0.605634 0.75641
52 ADP MG 0.605634 0.808219
53 ADX 0.605634 0.759494
54 AGS 0.60274 0.8
55 AD9 0.60274 0.821918
56 SAP 0.60274 0.8
57 2AM 0.6 0.842857
58 SFG 0.597222 0.850746
59 50T 0.597222 0.833333
60 BEF ADP 0.597222 0.786667
61 ACP 0.597222 0.821918
62 ADP BEF 0.597222 0.786667
63 MTP 0.590164 0.852941
64 APR 0.589041 0.84507
65 PRX 0.589041 0.797297
66 AR6 0.589041 0.84507
67 A3G 0.588235 0.938462
68 TAT 0.586667 0.810811
69 ACQ 0.586667 0.821918
70 A3P 0.585714 0.816901
71 RBY 0.581081 0.810811
72 ADV 0.581081 0.810811
73 SA8 0.581081 0.794521
74 ADP PO3 0.581081 0.842857
75 A5D 0.581081 0.865672
76 1DA 0.580645 1
77 6MD 0.580645 0.952381
78 ADQ 0.575 0.847222
79 OVE 0.573529 0.808219
80 SAH 0.573333 0.84058
81 SAI 0.573333 0.828571
82 ATP MG 0.573333 0.808219
83 G5A 0.573333 0.714286
84 A22 0.56962 0.833333
85 GAP 0.565789 0.821918
86 ANP 0.565789 0.821918
87 SAM 0.565789 0.773333
88 NEC 0.565217 0.876923
89 3AD 0.564516 0.951613
90 25A 0.5625 0.819444
91 7D5 0.560606 0.780822
92 AAT 0.558442 0.819444
93 5AL 0.558442 0.808219
94 EEM 0.558442 0.773333
95 ATF 0.551282 0.810811
96 ADP ALF 0.551282 0.776316
97 A5A 0.551282 0.719512
98 ALF ADP 0.551282 0.776316
99 CC5 0.55 0.935484
100 A3S 0.547945 0.953125
101 VO4 ADP 0.544304 0.808219
102 ADP VO4 0.544304 0.808219
103 SSA 0.544304 0.73494
104 SMM 0.544304 0.74359
105 ANP MG 0.544304 0.776316
106 S7M 0.544304 0.773333
107 SRP 0.544304 0.810811
108 QQX 0.544118 0.756757
109 S8M 0.54321 0.805556
110 ADP BMA 0.542169 0.847222
111 A2P 0.541667 0.802817
112 3D1 0.539683 0.907692
113 3L1 0.539683 0.907692
114 PAP 0.539474 0.830986
115 52H 0.5375 0.694118
116 54H 0.5375 0.702381
117 VMS 0.5375 0.702381
118 LSS 0.536585 0.678161
119 ACK 0.536232 0.811594
120 QQY 0.536232 0.767123
121 A3T 0.533333 0.968254
122 TSB 0.530864 0.731707
123 MAP 0.530864 0.8
124 53H 0.530864 0.694118
125 DAL AMP 0.530864 0.808219
126 5CA 0.530864 0.73494
127 GEK 0.52439 0.805556
128 8QN 0.52439 0.808219
129 OOB 0.52439 0.808219
130 5SV 0.52439 0.75641
131 OAD 0.52381 0.821918
132 25L 0.523256 0.833333
133 PPS 0.518987 0.7375
134 DSZ 0.518072 0.714286
135 4AD 0.518072 0.8
136 NSS 0.518072 0.714286
137 0UM 0.518072 0.808219
138 A1R 0.518072 0.813333
139 AMO 0.518072 0.810811
140 PAJ 0.518072 0.792208
141 A A 0.517647 0.819444
142 6CR 0.515152 0.910448
143 RP1 0.514286 0.77027
144 SP1 0.514286 0.77027
145 2VA 0.513158 0.938462
146 62X 0.511905 0.74359
147 00A 0.511905 0.766234
148 NVA LMS 0.511905 0.678161
149 DLL 0.511905 0.808219
150 AHX 0.511905 0.802632
151 3OD 0.511628 0.821918
152 ME8 0.511628 0.728395
153 PTJ 0.511628 0.75641
154 7D3 0.506849 0.783784
155 V3L 0.506329 0.819444
156 K15 0.505882 0.763158
157 3UK 0.505882 0.797297
158 LEU LMS 0.505882 0.678161
159 A6D 0.505882 0.763158
160 GSU 0.5 0.694118
161 2BA 0.5 0.814286
162 KAA 0.5 0.689655
163 PR8 0.5 0.759494
164 AD3 0.5 1
165 P5A 0.5 0.681818
166 CMP 0.5 0.826087
167 NVA 2AD 0.5 0.867647
168 ATR 0.5 0.816901
169 5F1 0.5 0.80597
170 LAD 0.5 0.769231
171 WAQ 0.5 0.766234
172 ATP A A A 0.494382 0.830986
173 FYA 0.494253 0.808219
174 BIS 0.494253 0.789474
175 SXZ 0.494253 0.773333
176 NB8 0.494253 0.779221
177 TXA 0.494253 0.810811
178 JB6 0.494253 0.766234
179 1ZZ 0.494253 0.728395
180 SO8 0.493671 0.924242
181 VRT 0.493671 0.897059
182 IVH 0.493333 0.835616
183 KB1 0.488636 0.783784
184 MYR AMP 0.488636 0.728395
185 2A5 0.487179 0.797297
186 NOC 0.484375 0.903226
187 4UV 0.483516 0.776316
188 9SN 0.483146 0.75641
189 A2R 0.481928 0.833333
190 7D4 0.480519 0.783784
191 FA5 0.477778 0.786667
192 YAP 0.477778 0.776316
193 D3Y 0.47619 0.924242
194 AFH 0.473118 0.792208
195 AR6 AR6 0.473118 0.819444
196 YSA 0.472527 0.694118
197 XAH 0.472527 0.75
198 TYR AMP 0.472527 0.786667
199 TBN 0.46875 0.983607
200 3BH 0.46875 0.953125
201 AMP DBH 0.467391 0.821918
202 101 0.465753 0.780822
203 LAQ 0.463158 0.728395
204 TO1 0.462687 0.952381
205 7C5 0.462366 0.819444
206 G3A 0.462366 0.779221
207 UPA 0.459184 0.813333
208 LPA AMP 0.458333 0.728395
209 4UU 0.457447 0.776316
210 7MD 0.457447 0.772152
211 G5P 0.457447 0.779221
212 A A A 0.454545 0.808219
213 5ID 0.454545 0.923077
214 GTA 0.452632 0.75
215 TAD 0.452632 0.769231
216 4YB 0.452632 0.678161
217 KH3 0.452632 0.776316
218 3NZ 0.449438 0.884058
219 TYM 0.44898 0.786667
220 OMR 0.44898 0.740741
221 WSA 0.44898 0.702381
222 AHZ 0.447917 0.728395
223 ARG AMP 0.447917 0.740741
224 139 0.445545 0.782051
225 48N 0.443299 0.779221
226 YLP 0.443299 0.731707
227 ARJ 0.441176 0.857143
228 AFX 0.441176 0.768116
229 AV2 0.440476 0.77027
230 D5M 0.44 0.756757
231 DA 0.44 0.756757
232 5J9 0.43956 0.773333
233 TXD 0.438776 0.789474
234 NAX 0.438776 0.759494
235 6V0 0.438776 0.779221
236 UP5 0.438776 0.8
237 NXX 0.438776 0.810811
238 DND 0.438776 0.810811
239 NAI 0.438776 0.789474
240 4UW 0.438776 0.746835
241 PO4 PO4 A A A A PO4 0.438202 0.802817
242 NA7 0.438202 0.810811
243 MZR 0.4375 0.859375
244 V1N 0.43617 0.819444
245 HO4 0.434783 0.952381
246 649 0.434343 0.662921
247 AF3 ADP 3PG 0.434343 0.746835
248 TXE 0.434343 0.789474
249 ALF ADP 3PG 0.434343 0.746835
250 LA8 ALF 3PG 0.434343 0.746835
251 IMO 0.434211 0.777778
252 3AT 0.433735 0.819444
253 G A A A 0.432692 0.779221
254 YLB 0.43 0.731707
255 YLC 0.43 0.75
256 AP0 0.43 0.779221
257 7MC 0.43 0.753086
258 4TC 0.43 0.779221
259 SGV 0.428571 0.967742
260 BS5 0.427184 0.674157
261 A4P 0.425743 0.73494
262 IOT 0.421569 0.722892
263 DAT 0.419753 0.76
264 COD 0.419048 0.72619
265 YLA 0.417476 0.731707
266 ADJ 0.417476 0.740741
267 T5A 0.417476 0.731707
268 AS 0.415584 0.717949
269 J1D 0.415094 0.625
270 0XU 0.414634 0.823529
271 CNA 0.413462 0.810811
272 AYB 0.413462 0.722892
273 103 0.413333 0.716216
274 A U 0.411765 0.8
275 GMP 0.410959 0.882353
276 NAD IBO 0.409524 0.776316
277 GGZ 0.409091 0.7125
278 ITT 0.407407 0.791667
279 BTX 0.40566 0.710843
280 NAD 0.40566 0.808219
281 4TA 0.40566 0.719512
282 SFB 0.401961 0.709302
283 U A G G 0.401869 0.766234
284 BT5 0.401869 0.702381
285 DZD 0.401869 0.769231
286 DTP 0.4 0.76
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IP7; Ligand: FBP; Similar sites found: 95
This union binding pocket(no: 1) in the query (biounit: 4ip7.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1V8B NAD 0.007601 0.4282 1.25261
2 3KJS DQ1 0.02767 0.40476 1.34357
3 4JWH SAH 0.001659 0.44465 1.59744
4 1TLL FMN 0.001162 0.45004 1.65746
5 1KNR FAD 0.02965 0.40327 1.66667
6 1RSG FAD 0.02916 0.40537 1.74419
7 1VDC FAD 0.006603 0.44163 1.8018
8 4UP3 FAD 0.004703 0.44248 1.91083
9 3W8X FAD 0.03529 0.40288 1.92308
10 3FJO FMN 0.001676 0.43715 2.20994
11 5FA6 FMN 0.02955 0.42233 2.20994
12 5FA6 NAP 0.03024 0.42233 2.20994
13 5FA6 FAD 0.02955 0.42233 2.20994
14 5IXJ THR 0.003325 0.4381 2.27273
15 4PPF FLC 0.001771 0.47172 2.28571
16 1X9I G6Q 0.004226 0.42127 2.31788
17 5G4R LF1 0.01253 0.40325 2.54237
18 4JBL MET 0.02016 0.40159 2.65487
19 1MOQ GLP 0.007176 0.40674 2.71739
20 1TAD GDP 0.01786 0.40106 2.77778
21 3MBI HSX 0.01128 0.40974 2.78746
22 1SVK ALF GDP 0.01553 0.40521 2.83286
23 5NUL FMN 0.001837 0.42096 2.89855
24 5AYV KPL 0.01727 0.40992 2.91262
25 1XFF GLU 0.01149 0.40104 2.91667
26 1UI0 URA 0.01115 0.40829 2.92683
27 1BH2 GSP 0.01478 0.40492 3.1746
28 2DTJ THR 0.006433 0.4171 3.37079
29 1QF5 GDP 0.03583 0.40487 3.48028
30 5GXU FMN 0.009908 0.40043 3.49908
31 2PS1 ORO 0.004967 0.42721 3.53982
32 1I1N SAH 0.007303 0.4193 3.53982
33 2Q2Y MKR 0.04813 0.41217 3.54223
34 2Q2Y ADP 0.04813 0.41217 3.54223
35 1OBV FMN 0.0005857 0.42518 3.5503
36 1RYO OXL 0.01241 0.4252 3.66972
37 4X1B MLI 0.00876 0.43378 3.68324
38 1HGX 5GP 0.01548 0.40299 3.82514
39 4AUT FAD 0.01835 0.41166 3.84615
40 1G6H ADP 0.008349 0.42832 3.89105
41 4AMV F6R 0.004398 0.41217 4.05157
42 1PS9 FAD 0.03321 0.40171 4.05157
43 2POC BG6 0.002793 0.42516 4.08719
44 1AOE GW3 0.0304 0.40184 4.16667
45 3L6C MLI 0.003219 0.44958 4.42478
46 1CZR FMN 0.001056 0.44413 4.73373
47 3KAP FMN 0.001625 0.4397 4.7619
48 1FEC FAD 0.04303 0.4001 4.89796
49 2XOD FMN 0.004415 0.41814 5.04202
50 1B1C FMN 0.003147 0.40612 5.52486
51 2ZE7 DST 0.009516 0.4111 5.5336
52 3OZG SSI 0.004765 0.41063 5.6
53 5F1H 5U6 0.008198 0.41655 5.69106
54 1TE2 PGA 0.01227 0.41081 5.75221
55 1T57 FMN 0.00002583 0.52364 5.82524
56 3GJX GTP 0.00994 0.41022 6.30137
57 3WYF GTP 0.009194 0.41323 6.30252
58 4XFR CIT 0.01112 0.41479 6.32318
59 2XTZ GSP 0.0121 0.40625 6.49718
60 1JJ7 ADP 0.01325 0.41553 6.53846
61 4OPC FDA 0.0448 0.42182 6.62252
62 4H2D FMN 0.001773 0.41497 6.66667
63 4AT0 FAD 0.03363 0.40626 6.86275
64 1LOJ URI 0.01814 0.40328 6.89655
65 5GS9 ARG 0.00458 0.4154 7.12166
66 2WC1 FMN 0.001802 0.41422 7.69231
67 5UWT GNP 0.008214 0.41407 7.69231
68 5UWI GNP 0.008478 0.41343 7.69231
69 5UWP GNP 0.009611 0.41233 7.69231
70 4N82 FMN 0.002035 0.42923 7.86517
71 1R18 SAH 0.009028 0.40752 7.92952
72 5TPX 7H7 0.02375 0.40032 8.13008
73 4BMO FMN 0.008098 0.41436 8.38509
74 3RK0 AMP 0.001737 0.42017 8.43882
75 3AB4 THR 0.007123 0.41954 8.55107
76 3AB4 LYS 0.005347 0.41651 8.55107
77 1AG9 FMN 0.001047 0.44429 8.57143
78 1MJH ATP 0.003782 0.42303 9.25926
79 5GVR LMR 0.003315 0.45374 9.40171
80 5K9B FMN 0.000869 0.42688 9.44444
81 4R2I ANP 0.01013 0.4167 9.52381
82 1IG3 VIB 0.01106 0.41792 10.2662
83 2FCR FMN 0.0006294 0.44959 10.4046
84 3F6R FMN 0.001541 0.43461 11.4865
85 4P83 U5P 0.004276 0.42557 12.0879
86 3RGQ 5P5 0.02238 0.40153 12.1795
87 2F5Z FAD 0.03578 0.40177 12.4473
88 4HEQ FMN 0.001175 0.44204 13.0137
89 1J0D 5PA 0.00337 0.43356 13.1965
90 2UUU FAD 0.04944 0.40127 13.8122
91 2UUU PL3 0.04944 0.40127 13.8122
92 3F81 STT 0.002109 0.44156 16.3934
93 5C2N NAG 0.02174 0.4014 16.6667
94 3HGM ATP 0.008053 0.4081 17.0068
95 1WQ1 AF3 0.01337 0.40828 28.9157
Pocket No.: 2; Query (leader) PDB : 4IP7; Ligand: FBP; 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: 4ip7.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4IP7; Ligand: FLC; Similar sites found: 76
This union binding pocket(no: 3) in the query (biounit: 4ip7.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3O0Q TTP 0.0172 0.4486 1.10497
2 3O0Q ADN 0.01763 0.4486 1.10497
3 3CV2 OXL 0.0002122 0.48352 1.12782
4 2GPT TLA 0.00899 0.41097 1.14723
5 2Q8Z NUP 0.0029 0.45564 1.16959
6 1P7T PYR 0.001141 0.42285 1.28913
7 4O8A FAD 0.01375 0.43002 1.4733
8 1TIW FAD 0.01977 0.42897 1.4733
9 1TIW TFB 0.01977 0.42897 1.4733
10 1JQN DCO 0.001777 0.41956 1.4733
11 3EPO MP5 0.01539 0.41134 1.4733
12 1XPK HMG 0.04349 0.40078 1.54639
13 5LI1 ANP 0.02195 0.40683 1.69492
14 4CCO OGA 0.01076 0.40346 1.71306
15 3T7V MD0 0.003438 0.42753 1.71429
16 2IV3 UDP 0.02603 0.40135 1.75439
17 3C56 PH4 0.02403 0.40314 1.9544
18 5ULJ 0WD 0.01155 0.42124 1.99501
19 4B2Z P5S 0.0456 0.40803 2.00893
20 3MJY IJZ 0.03019 0.41278 2.02312
21 3MJY FMN 0.03019 0.41278 2.02312
22 2G37 FAD 0.007363 0.43132 2.14067
23 4NMC FAD 0.007461 0.45107 2.20994
24 4NMC 2OP 0.007131 0.45107 2.20994
25 1DQX BMP 0.007676 0.43039 2.24719
26 1VBH PEP 0.001463 0.43672 2.57827
27 3ZOA ACR 0.009524 0.40875 2.57827
28 3G6K POP 0.01056 0.4349 2.5974
29 3G6K FAD 0.01094 0.43281 2.5974
30 3OIX FMN 0.0306 0.40236 2.89855
31 1O68 KIV 0.006046 0.41563 2.94659
32 1R6W 164 0.01669 0.40575 3.10559
33 4I42 1HA 0.03836 0.40372 3.15789
34 1EBG PAH 0.01749 0.4085 3.21101
35 3EBL GA4 0.02146 0.40733 3.28767
36 1U08 PLP 0.01127 0.40767 3.88601
37 4IX4 ADP 0.02155 0.40558 4
38 1KC7 PPR 0.00007808 0.50697 4.05157
39 4A2A ATP 0.02666 0.40245 4.05728
40 4J7N GTG 0.02328 0.40708 4.49735
41 4J7N 9MG 0.01678 0.40562 4.49735
42 3AWJ COA 0.01861 0.40712 4.97512
43 4D52 GXL 0.01069 0.40731 5.07937
44 4L80 OXL 0.0003316 0.48171 5.17241
45 2FFC U5P 0.02235 0.40303 5.38244
46 3WCA FPS 0.02458 0.41409 5.47945
47 1WUB OTP 0.03531 0.41777 5.61798
48 2GEK GDP 0.01465 0.40435 5.66502
49 4ANW O92 0.03012 0.41171 6.07735
50 1C9K 5GP 0.01146 0.40731 6.11111
51 1IZC PYR 0.0001579 0.4055 6.19469
52 3DJF BC3 0.0287 0.40382 6.27178
53 3H22 B53 0.01149 0.41184 6.39731
54 2XZ9 PYR 0.0008393 0.46021 6.48148
55 1Q6O LG6 0.01178 0.41339 6.48148
56 2WQP WQP 0.0163 0.42098 6.87679
57 1XG4 ICT 0.008613 0.42421 7.79661
58 2V5K OXM 0.00003952 0.47532 8.36237
59 3MI2 PFU 0.01272 0.44747 8.60215
60 3EWC MCF 0.03408 0.40131 8.62534
61 3W7T BMA 0.02368 0.40347 9.2081
62 2QCD U5P 0.006241 0.43322 9.23077
63 4B5W PYR 0.0001116 0.54588 9.375
64 1X1Z BMP 0.01485 0.44371 9.52381
65 4OIC A8S 0.01811 0.40395 9.66184
66 1EIX BMQ 0.01001 0.41897 11.0204
67 1ERB ETR 0.03682 0.4022 11.4754
68 1UNH IXM 0.01807 0.40196 12.0192
69 1Y0G 8PP 0.01673 0.43576 12.5654
70 3LF0 ATP 0.006002 0.43761 13.1579
71 2RKN LP3 0.01739 0.40279 15.5844
72 1V3S ATP 0.02194 0.40518 19.8276
73 2VWT PYR 0.0003123 0.43979 22.4719
74 3KOX Z98 0.005721 0.4292 23.1405
75 5UKL SIX 0.03572 0.4029 24.1935
76 2J9D ADP 0.01372 0.41902 28.5714
Pocket No.: 4; Query (leader) PDB : 4IP7; Ligand: FLC; 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: 4ip7.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4IP7; Ligand: FBP; 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: 4ip7.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4IP7; Ligand: FBP; 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: 4ip7.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4IP7; Ligand: FLC; 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: 4ip7.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4IP7; Ligand: FLC; 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: 4ip7.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4IP7; Ligand: ADN; 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: 4ip7.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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