Receptor
PDB id Resolution Class Description Source Keywords
3FPF 1.66 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MTNAS IN COMPLEX WITH MTA AND TNA METHANOTHERMOBACTER THERMAUTOTROPHICUSORGANISM_TAXID: 187420 THERMONICOTIANAMINE NICOTIANAMINE BIOSYNTHETIC PROTEIN TR
Ref.: CRYSTALLOGRAPHIC SNAPSHOTS OF ITERATIVE SUBSTRATE TRANSLOCATIONS DURING NICOTIANAMINE SYNTHESIS IN AR PROC.NATL.ACAD.SCI.USA V. 106 16180 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BR B:299;
B:302;
Invalid;
Invalid;
none;
none;
submit data
79.904 Br [Br-]
MTA A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
297.334 C11 H15 N5 O3 S CSC[C...
TNA A:300;
B:300;
Valid;
Valid;
none;
none;
submit data
349.337 C13 H23 N3 O8 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FPF 1.66 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MTNAS IN COMPLEX WITH MTA AND TNA METHANOTHERMOBACTER THERMAUTOTROPHICUSORGANISM_TAXID: 187420 THERMONICOTIANAMINE NICOTIANAMINE BIOSYNTHETIC PROTEIN TR
Ref.: CRYSTALLOGRAPHIC SNAPSHOTS OF ITERATIVE SUBSTRATE TRANSLOCATIONS DURING NICOTIANAMINE SYNTHESIS IN AR PROC.NATL.ACAD.SCI.USA V. 106 16180 2009
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3FPF - MTA C11 H15 N5 O3 S CSC[C@@H]1....
2 3FPJ - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 3FPE - TNA C13 H23 N3 O8 C(CC(=O)O)....
4 3FPH - GLU C5 H9 N O4 C(CC(=O)O)....
5 3O31 - 3O3 C9 H16 N2 O6 C(CC(=O)O)....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3FPF - MTA C11 H15 N5 O3 S CSC[C@@H]1....
2 3FPJ - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 3FPE - TNA C13 H23 N3 O8 C(CC(=O)O)....
4 3FPH - GLU C5 H9 N O4 C(CC(=O)O)....
5 3O31 - 3O3 C9 H16 N2 O6 C(CC(=O)O)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3FPF - MTA C11 H15 N5 O3 S CSC[C@@H]1....
2 3FPJ - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 3FPE - TNA C13 H23 N3 O8 C(CC(=O)O)....
4 3FPH - GLU C5 H9 N O4 C(CC(=O)O)....
5 3O31 - 3O3 C9 H16 N2 O6 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MTA; Similar ligands found: 256
No: Ligand ECFP6 Tc MDL keys Tc
1 MTA 1 1
2 DTA 0.786885 0.867647
3 3DH 0.777778 0.938462
4 RAB 0.758621 0.878788
5 XYA 0.758621 0.878788
6 ADN 0.758621 0.878788
7 DSH 0.705882 0.84507
8 5N5 0.704918 0.878788
9 A4D 0.693548 0.907692
10 5CD 0.693548 0.892308
11 EP4 0.6875 0.939394
12 M2T 0.676923 0.940298
13 A7D 0.657534 0.882353
14 5X8 0.64 0.895522
15 5AD 0.639344 0.857143
16 ZAS 0.628571 0.816901
17 AMP 0.628571 0.794521
18 A 0.628571 0.794521
19 A5D 0.623377 0.867647
20 SAH 0.615385 0.869565
21 ABM 0.60274 0.821918
22 J7C 0.60274 0.794521
23 AAT 0.6 0.797297
24 6RE 0.597222 0.783784
25 SRA 0.597222 0.776316
26 S4M 0.594595 0.84
27 AOC 0.589041 0.880597
28 AMP MG 0.589041 0.773333
29 MAO 0.586667 0.805195
30 S8M 0.583333 0.833333
31 A2D 0.581081 0.773333
32 A3N 0.581081 0.867647
33 5AS 0.578947 0.697674
34 GJV 0.573333 0.773333
35 BA3 0.565789 0.773333
36 A12 0.565789 0.74359
37 AP2 0.565789 0.74359
38 M33 0.564103 0.810811
39 AU1 0.564103 0.753247
40 MHZ 0.564103 0.805195
41 ADX 0.564103 0.719512
42 ADP 0.558442 0.773333
43 AP5 0.558442 0.773333
44 B4P 0.558442 0.773333
45 7D7 0.553846 0.794118
46 Y3J 0.552239 0.80303
47 AN2 0.551282 0.763158
48 SON 0.551282 0.74359
49 SXZ 0.550562 0.849315
50 PRX 0.55 0.8
51 A6D 0.545455 0.766234
52 CA0 0.544304 0.753247
53 ADP MG 0.544304 0.763158
54 SA8 0.54321 0.873239
55 AD9 0.54321 0.753247
56 EEM 0.542169 0.849315
57 BEF ADP 0.5375 0.74359
58 50T 0.5375 0.763158
59 SFG 0.5375 0.826087
60 ACP 0.5375 0.753247
61 ATP 0.5375 0.773333
62 ADP BEF 0.5375 0.74359
63 AR6 0.530864 0.773333
64 APR 0.530864 0.773333
65 5FA 0.530864 0.773333
66 APC 0.530864 0.74359
67 AQP 0.530864 0.773333
68 ANP 0.53012 0.753247
69 SAM 0.53012 0.875
70 SMM 0.529412 0.84
71 3AM 0.527027 0.756757
72 NEC 0.526316 0.823529
73 RBY 0.52439 0.74359
74 SAP 0.52439 0.75641
75 AGS 0.52439 0.75641
76 ADP PO3 0.52439 0.794521
77 ADV 0.52439 0.74359
78 5AL 0.52381 0.786667
79 VMS 0.523256 0.705882
80 54H 0.523256 0.705882
81 3AD 0.521739 0.863636
82 MTH 0.520548 0.984127
83 SAI 0.518072 0.830986
84 G5A 0.518072 0.678161
85 ATP MG 0.518072 0.763158
86 A5A 0.517647 0.722892
87 ME8 0.516484 0.797468
88 ACQ 0.511905 0.753247
89 GAP 0.511905 0.753247
90 TAT 0.511905 0.766234
91 S7M 0.511628 0.824324
92 8QN 0.511364 0.786667
93 CC5 0.507463 0.876923
94 A3G 0.506494 0.828571
95 A3P 0.506329 0.77027
96 52H 0.505747 0.697674
97 MTP 0.5 0.828571
98 ADP ALF 0.5 0.734177
99 MAP 0.5 0.734177
100 TSB 0.5 0.714286
101 7D5 0.5 0.714286
102 ATF 0.5 0.74359
103 ALF ADP 0.5 0.734177
104 53H 0.5 0.697674
105 DAL AMP 0.5 0.786667
106 5SV 0.494382 0.759494
107 25A 0.494382 0.773333
108 SSA 0.494253 0.678161
109 ANP MG 0.494253 0.734177
110 ADP VO4 0.494253 0.763158
111 SRP 0.494253 0.74359
112 VO4 ADP 0.494253 0.763158
113 2AM 0.493333 0.746667
114 26A 0.492958 0.867647
115 0UM 0.488889 0.810811
116 ADQ 0.488889 0.753247
117 LSS 0.488889 0.701149
118 DSZ 0.488889 0.678161
119 PAJ 0.488889 0.75
120 A1R 0.488889 0.725
121 3OD 0.483871 0.776316
122 62X 0.483516 0.815789
123 NVA LMS 0.483516 0.701149
124 AHX 0.483516 0.716049
125 A22 0.483146 0.763158
126 5CA 0.483146 0.678161
127 A3T 0.481928 0.880597
128 2VA 0.481928 0.855072
129 RP1 0.480519 0.75
130 SP1 0.480519 0.75
131 3L1 0.478873 0.8
132 3D1 0.478873 0.8
133 OAD 0.478261 0.776316
134 K15 0.478261 0.813333
135 LEU LMS 0.478261 0.701149
136 GEK 0.477778 0.833333
137 OOB 0.477778 0.763158
138 A3S 0.47561 0.84058
139 OVE 0.474359 0.74026
140 PR8 0.473118 0.698795
141 P5A 0.473118 0.648352
142 AMO 0.472527 0.74359
143 NSS 0.472527 0.678161
144 4AD 0.472527 0.734177
145 6MD 0.472222 0.893939
146 2FA 0.472222 0.816901
147 NOC 0.471429 0.791045
148 A2P 0.469136 0.756757
149 2BA 0.469136 0.767123
150 CMP 0.469136 0.777778
151 TXA 0.468085 0.766234
152 PTJ 0.468085 0.759494
153 1ZZ 0.468085 0.731707
154 QQX 0.467532 0.714286
155 00A 0.467391 0.725
156 DLL 0.467391 0.763158
157 5F1 0.465753 0.782609
158 MYR AMP 0.463158 0.731707
159 3UK 0.462366 0.753247
160 ADP BMA 0.462366 0.753247
161 ACK 0.461538 0.739726
162 QQY 0.461538 0.723684
163 GSU 0.457447 0.678161
164 A A 0.457447 0.773333
165 WAQ 0.457447 0.725
166 LAD 0.457447 0.707317
167 KAA 0.457447 0.655556
168 PPS 0.454545 0.698795
169 PAP 0.453488 0.76
170 NVA 2AD 0.453488 0.816901
171 NB8 0.452632 0.716049
172 JB6 0.452632 0.746835
173 FYA 0.452632 0.763158
174 BIS 0.452632 0.725
175 1DA 0.452055 0.878788
176 XAH 0.44898 0.690476
177 TYR AMP 0.44898 0.74359
178 VRT 0.448276 0.84507
179 SO8 0.448276 0.869565
180 25L 0.447917 0.763158
181 KB1 0.447917 0.786667
182 4UV 0.444444 0.734177
183 9SN 0.443299 0.716049
184 V3L 0.443182 0.773333
185 LAQ 0.441176 0.710843
186 7D3 0.439024 0.696203
187 ATP A A A 0.438776 0.783784
188 FA5 0.438776 0.74359
189 YAP 0.438776 0.734177
190 J1A 0.4375 0.740741
191 LPA AMP 0.436893 0.710843
192 J1C 0.435897 0.67033
193 AFH 0.435644 0.707317
194 7MD 0.435644 0.690476
195 4UU 0.435644 0.734177
196 J1B 0.434783 0.67033
197 YSA 0.434343 0.678161
198 TXD 0.432692 0.746835
199 4UW 0.432692 0.75
200 ARJ 0.432432 0.776119
201 MCF 0.432099 0.842857
202 KH3 0.431373 0.802632
203 TAD 0.431373 0.728395
204 GTA 0.431373 0.731707
205 4YB 0.431373 0.662921
206 AMP DBH 0.43 0.753247
207 IVH 0.428571 0.813333
208 AHZ 0.427184 0.731707
209 ARG AMP 0.427184 0.682353
210 3NZ 0.427083 0.833333
211 7C5 0.425743 0.773333
212 G3A 0.425743 0.716049
213 2A5 0.425287 0.708861
214 7MC 0.424528 0.694118
215 AP0 0.424528 0.7375
216 TT8 0.423913 0.898551
217 YLP 0.423077 0.694118
218 48N 0.423077 0.7375
219 CNA 0.422018 0.74359
220 AR6 AR6 0.421569 0.773333
221 G5P 0.421569 0.716049
222 ATR 0.420455 0.746667
223 101 0.419753 0.714286
224 D3Y 0.419355 0.816901
225 NXX 0.419048 0.74359
226 NAX 0.419048 0.698795
227 DND 0.419048 0.74359
228 6V0 0.419048 0.716049
229 NAI 0.419048 0.725
230 7D4 0.418605 0.696203
231 A A A 0.416667 0.763158
232 OMR 0.415094 0.722892
233 TXE 0.415094 0.725
234 649 0.415094 0.648352
235 D5M 0.414634 0.714286
236 DA 0.414634 0.714286
237 T5A 0.412844 0.694118
238 139 0.412844 0.698795
239 ADJ 0.412844 0.702381
240 YLB 0.411215 0.714286
241 YLC 0.411215 0.710843
242 J1D 0.410714 0.628866
243 AYB 0.409091 0.705882
244 A2R 0.408602 0.763158
245 A4P 0.407407 0.659091
246 UP5 0.40566 0.734177
247 NAD IBO 0.405405 0.75641
248 IOT 0.40367 0.666667
249 6CR 0.402597 0.805556
250 WSA 0.401869 0.686047
251 TYM 0.401869 0.74359
252 LA8 ALF 3PG 0.401869 0.707317
253 ALF ADP 3PG 0.401869 0.707317
254 AF3 ADP 3PG 0.401869 0.707317
255 4TA 0.401786 0.702381
256 YLA 0.4 0.674419
Ligand no: 2; Ligand: TNA; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 TNA 1 1
2 3O3 0.894737 0.942857
3 SHR 0.625 0.885714
4 AE5 0.543478 0.837838
5 DGL 0.463415 0.685714
6 GGL 0.463415 0.685714
7 GLU 0.463415 0.685714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FPF; Ligand: MTA; 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: 3fpf.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3FPF; Ligand: TNA; Similar sites found: 214
This union binding pocket(no: 2) in the query (biounit: 3fpf.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GZ6 NAI 0.003069 0.41004 1.00671
2 4K28 NAD 0.007406 0.40721 1.11524
3 1E3W NAD 0.005864 0.40149 1.53257
4 3PA8 621 0.03001 0.41993 1.5748
5 2J5V PCA 0.02095 0.44126 1.67785
6 1MUU NAD 0.004164 0.41768 1.67785
7 3GD4 NAD 0.004849 0.40946 1.67785
8 3GD4 FAD 0.003146 0.40727 1.67785
9 4PIO SAH 0.0004056 0.40207 1.67785
10 4RPL FAD 0.006048 0.40037 1.67785
11 1Q0S SAH 0.00004072 0.41309 1.9305
12 4RW3 TDA 0.03325 0.40038 2.01342
13 2OBF SAH 0.0005585 0.42138 2.07612
14 2OBF F83 0.0005585 0.42138 2.07612
15 1L1E SAH 0.00003174 0.40241 2.09059
16 2DPM SAM 0.00004395 0.40589 2.11268
17 5N5D SAM 0.00001414 0.40351 2.21239
18 4M73 SAH 0.00004122 0.44806 2.34899
19 4M73 M72 0.00007166 0.4429 2.34899
20 1ZMD FAD 0.0002947 0.43208 2.34899
21 3LAD FAD 0.0004873 0.42343 2.34899
22 5U8U FAD 0.001665 0.42166 2.34899
23 3ICS FAD 0.0006621 0.41295 2.34899
24 3ICR FAD 0.0006191 0.41142 2.34899
25 1N2X SAM 0.0000752 0.40215 2.34899
26 3GRU AMP 0.0000307 0.41387 2.37288
27 4BLW AMP 0.0002391 0.41833 2.42215
28 5DM1 5D7 0.0005544 0.41813 2.62172
29 5DM1 SAH 0.0005059 0.41692 2.62172
30 5BW4 SAM 0.0000215 0.4081 2.62172
31 3SQP FAD 0.003139 0.44423 2.68456
32 1UWK URO 0.0009065 0.41715 2.68456
33 1UWK NAD 0.0009065 0.41715 2.68456
34 1XHC FAD 0.0004567 0.41191 2.68456
35 4FZV SAM 0.0000288 0.40728 2.68456
36 1Q9I FAD 0.003665 0.40413 2.68456
37 1Q9I TEO 0.003665 0.40413 2.68456
38 1W73 NAP 0.01122 0.40216 2.68456
39 2ZIF SAM 0.000004366 0.41281 2.6936
40 3HVJ 705 0.0000063 0.47864 2.71493
41 1GEG NAD 0.002431 0.41646 2.73438
42 3OU2 SAH 0.001293 0.43892 2.75229
43 3EGI ADP 0.000003214 0.63652 2.91262
44 5JJR SAH 0.0006899 0.47297 3.02013
45 2RAB FAD 0.0004817 0.42573 3.02013
46 2RAB NAD 0.00135 0.42571 3.02013
47 3V1Y NAD 0.0039 0.41612 3.02013
48 1N4W FAD 0.001115 0.41202 3.02013
49 1CER NAD 0.007092 0.40543 3.02013
50 4X9M FAD 0.001713 0.40247 3.02013
51 4I9B 1KA 0.04685 0.40152 3.02013
52 4AZT SAM 0.00002085 0.40086 3.02013
53 5XVQ SAH 0.000456 0.46503 3.16901
54 3OFK SAH 0.0001694 0.48779 3.24074
55 5DXA SFG 0.00006753 0.50091 3.3557
56 4M38 SAH 0.0000001256 0.45842 3.3557
57 4NV0 MG7 0.008264 0.43725 3.3557
58 1YQZ FAD 0.0008176 0.42926 3.3557
59 3RNM FAD 0.0004257 0.42654 3.3557
60 4M37 SAH 0.0004913 0.42438 3.3557
61 5DX0 SFG 0.00003476 0.41711 3.3557
62 5DWQ SFG 0.00002755 0.41621 3.3557
63 3AB1 FAD 0.0007753 0.41428 3.3557
64 5DX1 SFG 0.00005763 0.40999 3.3557
65 4B1V LAB 0.03316 0.40985 3.3557
66 2Q7V FAD 0.00138 0.40675 3.3557
67 2CDU FAD 0.0007546 0.4056 3.3557
68 1F3L SAH 0.002319 0.40471 3.3557
69 5DX8 SFG 0.00006377 0.40154 3.3557
70 1XCL SAH 0.00006399 0.43299 3.40426
71 1KPG SAH 0.00004703 0.40022 3.48432
72 4POO SAM 0.00007326 0.40482 3.5
73 1WG8 SAM 0.00002415 0.41368 3.50877
74 2HQM FAD 0.001024 0.41227 3.69128
75 1E5Q NDP 0.004351 0.40902 3.69128
76 4OPC PGT 0.01062 0.40845 3.69128
77 1SQF SAM 0.00001089 0.40614 3.69128
78 4OPC FDA 0.01052 0.40564 3.69128
79 2DT5 NAD 0.001653 0.42573 3.79147
80 1PZM 5GP 0.04895 0.40439 3.79147
81 1KPH SAH 0.00004757 0.40024 3.83275
82 3H2B SAH 0.00001835 0.40124 3.94089
83 1P1C SAH 0.00004401 0.41319 4.0201
84 1OBB NAD 0.0007783 0.45149 4.02685
85 1BZL FAD 0.000887 0.44685 4.02685
86 5BVA FAD 0.001513 0.40841 4.02685
87 5BUK FAD 0.001704 0.40661 4.02685
88 4AP3 NAP 0.004618 0.40264 4.02685
89 4AP3 FAD 0.004618 0.40264 4.02685
90 3GDN HBX 0.003383 0.40228 4.02685
91 3GDN FAD 0.002085 0.40159 4.02685
92 3LU1 NAD 0.006191 0.40056 4.12088
93 3DXY SAM 0.00002515 0.56496 4.12844
94 1Y8Q ATP 0.0001257 0.48514 4.36242
95 4XQC NAD 0.001758 0.40515 4.36242
96 2NPX FAD 0.001827 0.40463 4.36242
97 1D4D FAD 0.002121 0.40232 4.37063
98 2F5Z FAD 0.0003416 0.42986 4.6875
99 1MO9 KPC 0.003488 0.41768 4.69799
100 1MO9 FAD 0.004284 0.41375 4.69799
101 1GPE FAD 0.002517 0.40164 4.69799
102 4IWN GEK 0.00005065 0.40603 4.80349
103 1VL8 NAP 0.001535 0.41658 4.86891
104 2VDV SAM 0.00002272 0.56041 4.87805
105 5AOA PPI 0.03689 0.42068 4.8951
106 4A7W GTP 0.04804 0.41273 5
107 3KLJ FAD 0.0002555 0.41252 5.03356
108 2PT9 2MH 0.000365 0.41103 5.03356
109 3NDJ SAH 0.001611 0.40935 5.03356
110 3NDJ JHZ 0.001611 0.40935 5.03356
111 2PT9 S4M 0.00009035 0.40618 5.03356
112 5N53 8NB 0.004892 0.46488 5.12821
113 4RDH AMP 0.00003983 0.54214 5.20833
114 5JE0 SAH 0.0001984 0.4131 5.26316
115 5JE0 AZ8 0.0001984 0.4131 5.26316
116 3X0D SAH 0.0000007947 0.43457 5.36913
117 3UOY NAP 0.005246 0.40458 5.36913
118 3UOY FAD 0.005246 0.40458 5.36913
119 5T67 SAH 0.001722 0.40239 5.36913
120 4MOP 2H5 0.003536 0.40159 5.36913
121 5T67 JHZ 0.002662 0.40079 5.36913
122 5KVA SAM 0.000005497 0.42869 5.39568
123 2EG5 SAH 0.00013 0.52283 5.7047
124 5MW4 5JU 0.0000236 0.46631 5.7047
125 3WMX NAD 0.001259 0.43631 5.7047
126 3NTD FAD 0.0009708 0.40725 5.7047
127 3AYI FAD 0.002698 0.40579 5.7047
128 3AYI HCI 0.002842 0.40579 5.7047
129 2FR1 NDP 0.003522 0.40538 5.7047
130 3NTA FAD 0.001136 0.40501 5.7047
131 1L3I SAH 0.00001654 0.4289 5.72917
132 3A4T SFG 0.000006517 0.42388 5.83942
133 3U31 NAD 0.008047 0.41388 5.86207
134 5ODQ FAD 0.001584 0.40572 5.97826
135 3TLJ SAH 0.00004162 0.51 6.04027
136 4X60 SFG 0.001126 0.40761 6.04027
137 4X60 3XV 0.001255 0.40359 6.04027
138 4GQB 0XU 0.0198 0.40076 6.04027
139 4ITU 1HS 0.001755 0.40418 6.3197
140 5JE8 NAD 0.0008027 0.44757 6.37584
141 1GET NAP 0.001535 0.425 6.37584
142 1GET FAD 0.001478 0.42426 6.37584
143 4JDR FAD 0.0005167 0.42145 6.37584
144 2EJU SAH 0.00001273 0.4072 6.37584
145 1JQ3 AAT 0.00006434 0.43333 6.41892
146 1V59 FAD 0.0003065 0.43363 6.48536
147 5ITV NAI 0.0004926 0.40175 6.66667
148 1COY FAD 0.002089 0.40055 6.71141
149 4EUE NAI 0.0005058 0.40051 6.71141
150 5FA8 SAM 0.00004565 0.40436 6.8323
151 1NV8 SAM 0.00001472 0.43878 7.04225
152 1NV8 MEQ 0.00003101 0.4255 7.04225
153 4HA6 FAD 0.001342 0.40922 7.04698
154 4RSL FAD 0.001036 0.40116 7.04698
155 3IT7 TLA 0.02018 0.42231 7.14286
156 2GAG NAD 0.0008889 0.40613 7.14286
157 3SSO SAH 0.0003024 0.42831 7.38255
158 3C8Z 5CA 0.01973 0.40199 7.38255
159 2I7C AAT 0.00007993 0.46132 7.42049
160 1ZQ9 SAM 0.000007957 0.40996 7.7193
161 1B1C FMN 0.01932 0.40531 7.73481
162 4OBW SAM 0.0001465 0.50435 7.7821
163 4UTU LRY 0.01666 0.4181 7.86026
164 1XDS SAM 0.0003753 0.49999 8.05369
165 2IVD FAD 0.0004597 0.42821 8.05369
166 3CGD COA 0.00201 0.4256 8.05369
167 3CGD NAD 0.00201 0.4256 8.05369
168 3CGD FAD 0.00201 0.4256 8.05369
169 4BV6 FAD 0.001961 0.40149 8.05369
170 3GDH SAH 0.00001051 0.53094 8.29876
171 4UCC ZKW 0.004496 0.4787 8.58369
172 5VN0 NAI 0.003803 0.41657 8.72483
173 5VN0 FAD 0.002413 0.40038 8.72483
174 1JQD SAH 0.0003515 0.40262 8.90411
175 4M52 FAD 0.001075 0.41155 9.0604
176 5E8J SAH 0.0005117 0.4933 9.73154
177 1FEC FAD 0.0009348 0.41766 9.73154
178 3IP5 ALA 0.04514 0.4118 9.73154
179 5HJM MTA 0.0001113 0.50501 10.4027
180 1T9D FAD 0.0009275 0.40719 10.4027
181 4XUC SAM 0.00002311 0.45112 10.5505
182 4XUC 43G 0.00002311 0.45112 10.5505
183 2WPF FAD 0.001344 0.43935 11.0738
184 2WPF WPF 0.001484 0.43918 11.0738
185 3CTY FAD 0.001592 0.40763 11.0738
186 5MZI FYK 0.004637 0.40258 11.0738
187 5MZI FAD 0.004435 0.40258 11.0738
188 3LXD FAD 0.0008696 0.40069 11.0738
189 1DL5 SAH 0.000003594 0.44544 11.4094
190 1I9G SAM 0.000002879 0.43064 11.4286
191 3AD8 NAD 0.0004506 0.40779 11.8227
192 4YCA NDP 0.009435 0.40032 11.9048
193 1I1N SAH 0.00002511 0.42797 11.9469
194 4C4A SAH 0.0000001365 0.45575 12.0805
195 5E72 SAM 0.00001146 0.41813 12.4161
196 4QTU SAM 0.00007815 0.51203 12.5926
197 2O07 SPD 0.0001145 0.41348 12.7517
198 2O07 MTA 0.00006759 0.41348 12.7517
199 1QAN SAH 0.00002599 0.40764 13.1148
200 4YUW S4M 0.005903 0.41675 13.4228
201 4YUW 4JU 0.006057 0.41675 13.4228
202 4Y2H SAH 0.0002856 0.42797 13.7584
203 4Y2H 49K 0.0003983 0.42304 13.7584
204 4TXI FAD 0.0003065 0.40669 13.7584
205 3EGV SAH 0.000004464 0.5815 14.9606
206 2NXE SAM 0.000004318 0.41647 14.9606
207 1NVM NAD 0.0004123 0.40767 15.4362
208 4R6W PC 0.001228 0.41799 16.2791
209 4R6W SAH 0.0004195 0.40208 16.2791
210 3E1T FAD 0.0008862 0.41549 20.4698
211 3QFA FAD 0.001534 0.4062 20.6897
212 2Q1W NAD 0.00255 0.40834 23.4899
213 1JG3 ADN 0.000003442 0.40769 27.234
214 1R18 SAH 0.000005246 0.4253 31.2775
Pocket No.: 3; Query (leader) PDB : 3FPF; Ligand: TNA; 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: 3fpf.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3FPF; Ligand: MTA; Similar sites found: 270
This union binding pocket(no: 4) in the query (biounit: 3fpf.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GZ6 NAI 0.003069 0.41004 1.00671
2 4K28 NAD 0.007406 0.40721 1.11524
3 1E3W NAD 0.005864 0.40149 1.53257
4 3PA8 621 0.03001 0.41993 1.5748
5 2J5V PCA 0.02095 0.44126 1.67785
6 1MUU NAD 0.004164 0.41768 1.67785
7 3GD4 NAD 0.004849 0.40946 1.67785
8 3GD4 FAD 0.003146 0.40727 1.67785
9 4PIO SAH 0.0004056 0.40207 1.67785
10 4RPL FAD 0.006048 0.40037 1.67785
11 1Q0S SAH 0.00004072 0.41309 1.9305
12 4RW3 TDA 0.03325 0.40038 2.01342
13 2OBF F83 0.0005585 0.42138 2.07612
14 2OBF SAH 0.0005585 0.42138 2.07612
15 1L1E SAH 0.00003174 0.40241 2.09059
16 2DPM SAM 0.00004395 0.40589 2.11268
17 5N5D SAM 0.00001414 0.40351 2.21239
18 3S1S SAH 0.0001993 0.48059 2.34899
19 1ZMD NAI 0.0002061 0.47223 2.34899
20 4M73 SAH 0.00004122 0.44806 2.34899
21 4M73 M72 0.00007166 0.4429 2.34899
22 3LAD FAD 0.0004873 0.42343 2.34899
23 5U8U FAD 0.001665 0.42166 2.34899
24 3ICS FAD 0.0006621 0.41295 2.34899
25 1ZMD FAD 0.0002947 0.41289 2.34899
26 3ICR FAD 0.0006191 0.41142 2.34899
27 1N2X SAM 0.0000752 0.40215 2.34899
28 3GRU AMP 0.0000307 0.41387 2.37288
29 4BLW AMP 0.0002391 0.41833 2.42215
30 2BD0 NAP 0.003611 0.40497 2.45902
31 5DM1 5D7 0.0005544 0.41813 2.62172
32 5DM1 SAH 0.0005059 0.41692 2.62172
33 5BW4 SAM 0.0000215 0.4081 2.62172
34 3SQP FAD 0.003139 0.44423 2.68456
35 1UWK NAD 0.0009065 0.41715 2.68456
36 1UWK URO 0.0009065 0.41715 2.68456
37 2QA1 FAD 0.001377 0.41352 2.68456
38 1XHC FAD 0.0004567 0.41191 2.68456
39 4FZV SAM 0.0000288 0.40728 2.68456
40 1Q9I TEO 0.003665 0.40413 2.68456
41 1W73 NAP 0.01122 0.40216 2.68456
42 2Z9I GLY ALA THR VAL 0.0455 0.40213 2.68456
43 2ZIF SAM 0.000004366 0.41281 2.6936
44 3HVJ 705 0.0000063 0.47864 2.71493
45 1GEG NAD 0.002431 0.41646 2.73438
46 3OU2 SAH 0.001293 0.43892 2.75229
47 3EGI ADP 0.000003214 0.63652 2.91262
48 1G55 SAH 0.000066 0.51539 3.02013
49 5JJR SAH 0.0006899 0.47297 3.02013
50 2RAB FAD 0.0004817 0.42573 3.02013
51 2RAB NAD 0.00135 0.42571 3.02013
52 3V1Y NAD 0.0039 0.41612 3.02013
53 1N4W FAD 0.001115 0.41202 3.02013
54 1GQ2 NAP 0.005249 0.40577 3.02013
55 1CER NAD 0.007092 0.40543 3.02013
56 4X9M FAD 0.001713 0.40247 3.02013
57 4I9B 1KA 0.04685 0.40152 3.02013
58 4AZT SAM 0.00002085 0.40086 3.02013
59 5XVQ SAH 0.000456 0.46503 3.16901
60 3OFK SAH 0.0001694 0.48779 3.24074
61 3F81 STT 0.01264 0.42976 3.27869
62 4M38 SAH 0.0000001256 0.63256 3.3557
63 5DXA SFG 0.00006753 0.50091 3.3557
64 3VC1 SAH 0.0004483 0.46535 3.3557
65 4M37 SAH 0.0000004137 0.44426 3.3557
66 4NV0 MG7 0.008264 0.43725 3.3557
67 1YQZ FAD 0.0008176 0.42926 3.3557
68 3RNM FAD 0.0004257 0.42654 3.3557
69 1F3L SAH 0.000006558 0.4224 3.3557
70 5DX0 SFG 0.00003476 0.41711 3.3557
71 5DWQ SFG 0.00002755 0.41621 3.3557
72 1HKU NAD 0.002773 0.41174 3.3557
73 5DX1 SFG 0.00005763 0.40999 3.3557
74 4B1V LAB 0.03316 0.40985 3.3557
75 3AB1 FAD 0.0007753 0.40964 3.3557
76 3VC1 GST 0.00197 0.40565 3.3557
77 2CDU FAD 0.0007546 0.4056 3.3557
78 5DX8 SFG 0.00006377 0.40154 3.3557
79 1XCL SAH 0.00006399 0.47135 3.40426
80 1KPG SAH 0.00004703 0.51231 3.48432
81 4POO SAM 0.00007326 0.40482 3.5
82 1WG8 SAM 0.00002415 0.41368 3.50877
83 2F1K NAP 0.00316 0.41988 3.58423
84 2EWM NAD 0.001269 0.42481 3.61446
85 3GEG NAD 0.0001741 0.40335 3.64372
86 3M6W SAM 0.0000928 0.5243 3.69128
87 2HQM FAD 0.001024 0.41227 3.69128
88 1E5Q NDP 0.004351 0.40902 3.69128
89 4OPC PGT 0.01062 0.40845 3.69128
90 1SQF SAM 0.00001089 0.40614 3.69128
91 4OPC FDA 0.01052 0.40564 3.69128
92 2DT5 NAD 0.001653 0.42573 3.79147
93 1PZM 5GP 0.04895 0.40439 3.79147
94 1KPH SAH 0.00004757 0.40024 3.83275
95 3H2B SAH 0.00001835 0.40124 3.94089
96 1P1C SAH 0.00004401 0.41319 4.0201
97 2P41 SAH 0.0007832 0.4704 4.02685
98 1OBB NAD 0.0007783 0.45149 4.02685
99 1BZL FAD 0.000887 0.44685 4.02685
100 3HYW DCQ 0.02665 0.42327 4.02685
101 4E28 9MZ 0.04642 0.41019 4.02685
102 5BVA FAD 0.001513 0.40841 4.02685
103 5BUK FAD 0.001704 0.40661 4.02685
104 1GOJ ADP 0.04486 0.40359 4.02685
105 4AP3 NAP 0.004618 0.40264 4.02685
106 4AP3 FAD 0.004618 0.40264 4.02685
107 3GDN HBX 0.003383 0.40228 4.02685
108 3GDN FAD 0.002085 0.40159 4.02685
109 3LU1 NAD 0.006191 0.40056 4.12088
110 3DXY SAM 0.00002515 0.56496 4.12844
111 4NEC SAH 0.0007891 0.47916 4.16667
112 1Y8Q ATP 0.0001257 0.48514 4.36242
113 3ABI NAD 0.002276 0.41758 4.36242
114 4XQC NAD 0.001758 0.40515 4.36242
115 2NPX FAD 0.001827 0.40463 4.36242
116 1D4D FAD 0.002121 0.40232 4.37063
117 2F5Z FAD 0.0003416 0.42986 4.6875
118 1MO9 KPC 0.003488 0.41768 4.69799
119 1MO9 FAD 0.004284 0.41375 4.69799
120 1GPE FAD 0.002517 0.40164 4.69799
121 4IWN GEK 0.00005065 0.40603 4.80349
122 1VL8 NAP 0.001535 0.41658 4.86891
123 2VDV SAM 0.00002272 0.56041 4.87805
124 5AOA PPI 0.03689 0.42068 4.8951
125 4A7W GTP 0.04804 0.41273 5
126 2PT9 2MH 0.0003043 0.41448 5.03356
127 3KLJ FAD 0.0002555 0.41252 5.03356
128 3NDJ JHZ 0.001611 0.40935 5.03356
129 3NDJ SAH 0.001611 0.40935 5.03356
130 2PT9 S4M 0.0001033 0.40439 5.03356
131 5N53 8NB 0.004892 0.46488 5.12821
132 3UUA 0CZ 0.0465 0.40208 5.17928
133 4RDH AMP 0.00003983 0.54214 5.20833
134 5JE0 AZ8 0.0001984 0.4131 5.26316
135 5JE0 SAH 0.0001984 0.4131 5.26316
136 1IM8 SAI 0.00005676 0.51344 5.32787
137 3X0D SAH 0.0000007947 0.43457 5.36913
138 1P72 THM 0.03747 0.41459 5.36913
139 4KOA NDP 0.01684 0.4112 5.36913
140 3UOY NAP 0.005246 0.40458 5.36913
141 3UOY FAD 0.005246 0.40458 5.36913
142 5T67 SAH 0.001722 0.40239 5.36913
143 4MOP 2H5 0.003536 0.40159 5.36913
144 1C1X NAD 0.008989 0.40119 5.36913
145 5T67 JHZ 0.002662 0.40079 5.36913
146 5KVA SAM 0.000005497 0.42869 5.39568
147 3OGN 3OG 0.03052 0.40175 5.64516
148 2JJQ SAH 0.0001045 0.52753 5.7047
149 2EG5 SAH 0.00013 0.52283 5.7047
150 5MW4 5JU 0.0000236 0.46631 5.7047
151 3WMX NAD 0.001259 0.43631 5.7047
152 2HJR APR 0.00515 0.41945 5.7047
153 3NTA FAD 0.001136 0.40967 5.7047
154 3RHZ UDP 0.01699 0.40793 5.7047
155 3NTD FAD 0.0009708 0.40725 5.7047
156 3AYI HCI 0.002842 0.40579 5.7047
157 3AYI FAD 0.002698 0.40579 5.7047
158 2FR1 NDP 0.003522 0.40538 5.7047
159 1YBH FAD 0.001639 0.40204 5.7047
160 1L3I SAH 0.00001706 0.43161 5.72917
161 3A4T SFG 0.000006517 0.42388 5.83942
162 3U31 NAD 0.008047 0.41388 5.86207
163 5ODQ FAD 0.001584 0.40572 5.97826
164 3TLJ SAH 0.00004162 0.51 6.04027
165 4GQB 0XU 0.00005078 0.40869 6.04027
166 4X60 SFG 0.001126 0.40761 6.04027
167 3JV7 NAD 0.004796 0.40491 6.04027
168 4X60 3XV 0.001255 0.40359 6.04027
169 1UAY ADN 0.0004167 0.49773 6.19835
170 4ITU NAI 0.00156 0.41631 6.3197
171 5JE8 NAD 0.0008027 0.44757 6.37584
172 1GET NAP 0.001535 0.425 6.37584
173 1GET FAD 0.001478 0.42426 6.37584
174 4JDR FAD 0.0005167 0.41187 6.37584
175 2EJU SAH 0.00001273 0.4072 6.37584
176 1JQ3 AAT 0.00006434 0.46798 6.41892
177 1V59 FAD 0.0003065 0.43363 6.48536
178 5ITV NAI 0.0004926 0.40175 6.66667
179 4FN4 NAD 0.001577 0.42382 6.69291
180 1O0S NAI 0.002912 0.43018 6.71141
181 4EUE NAI 0.0005058 0.40051 6.71141
182 5FA8 SAM 0.00004565 0.40436 6.8323
183 3LE7 ADE 0.0286 0.42115 6.89655
184 1NV8 SAM 0.00001472 0.43878 7.04225
185 1NV8 MEQ 0.00003101 0.4255 7.04225
186 2NVK FAD 0.000662 0.41775 7.04698
187 4RSL FAD 0.001036 0.40116 7.04698
188 3IT7 TLA 0.02018 0.42231 7.14286
189 2GAG NAD 0.0008889 0.40613 7.14286
190 1Z6K OAA 0.02622 0.42087 7.16724
191 1V6A TRE 0.01445 0.43676 7.38255
192 3SSO SAH 0.00003148 0.4033 7.38255
193 3C8Z 5CA 0.01973 0.40199 7.38255
194 2I7C AAT 0.0002705 0.44471 7.42049
195 1ZQ9 SAM 0.000007957 0.40996 7.7193
196 1B1C FMN 0.01932 0.40531 7.73481
197 4OBW SAM 0.0001465 0.50435 7.7821
198 4UTU LRY 0.01666 0.4181 7.86026
199 1BDB NAD 0.002933 0.40607 7.94224
200 1JGS SAL 0.003083 0.45379 7.97101
201 1XDS SAM 0.0003753 0.49999 8.05369
202 4A6D SAM 0.000558 0.47299 8.05369
203 2IVD FAD 0.0004597 0.42821 8.05369
204 3CGD NAD 0.00201 0.4256 8.05369
205 3CGD FAD 0.00201 0.4256 8.05369
206 3CGD COA 0.00201 0.4256 8.05369
207 4BV6 FAD 0.001961 0.40149 8.05369
208 3GDH SAH 0.00001051 0.53094 8.29876
209 3LST SAH 0.00167 0.46781 8.38926
210 3QV1 NAD 0.008607 0.40196 8.53659
211 4UCC ZKW 0.004496 0.4787 8.58369
212 5VN0 NAI 0.003803 0.41657 8.72483
213 5VN0 FAD 0.002413 0.40038 8.72483
214 4NBU NAI 0.00389 0.40607 8.8
215 1JQD HSM 0.0005142 0.45228 8.90411
216 1JQD SAH 0.0003515 0.44931 8.90411
217 3FZG SAM 0.001149 0.47123 9
218 1O94 ADP 0.001695 0.43712 9.0604
219 4M52 FAD 0.001075 0.41155 9.0604
220 3G89 SAM 0.000006179 0.58845 9.23695
221 3LZW FAD 0.000597 0.41445 9.33735
222 3LZW NAP 0.002109 0.41356 9.33735
223 5E8J SAH 0.0005117 0.4933 9.73154
224 1FEC FAD 0.0009348 0.41766 9.73154
225 3IP5 ALA 0.04514 0.4118 9.73154
226 5HJM MTA 0.0001113 0.50501 10.4027
227 4K5S FAD 0.0008631 0.42591 10.4027
228 1T9D FAD 0.0009275 0.40719 10.4027
229 4XUC SAM 0.00002311 0.45112 10.5505
230 4XUC 43G 0.00002311 0.45112 10.5505
231 1LVL NAD 0.00006594 0.51052 11.0738
232 2WPF FAD 0.001344 0.43935 11.0738
233 2WPF WPF 0.001484 0.43918 11.0738
234 3CTY FAD 0.001592 0.40763 11.0738
235 5MZI FAD 0.004435 0.40258 11.0738
236 5MZI FYK 0.004637 0.40258 11.0738
237 3LXD FAD 0.0008696 0.40069 11.0738
238 2FK8 SAM 0.0000306 0.52548 11.4094
239 3DMH SAM 0.0001173 0.4993 11.4094
240 3DMH GMP 0.0003121 0.45779 11.4094
241 1DL5 SAH 0.000003594 0.44544 11.4094
242 1I9G SAM 0.000002879 0.43064 11.4286
243 3MB5 SAM 0.00001121 0.42607 11.7647
244 3AD8 NAD 0.0004506 0.40779 11.8227
245 4YCA NDP 0.009435 0.40032 11.9048
246 1I1N SAH 0.00002511 0.42797 11.9469
247 4C4A SAH 0.0000001365 0.45575 12.0805
248 5E72 SAM 0.00001146 0.41813 12.4161
249 4QTU SAM 0.00007815 0.51203 12.5926
250 2O07 MTA 0.00006759 0.48462 12.7517
251 2O07 SPD 0.0001145 0.46836 12.7517
252 1QAN SAH 0.00002599 0.40764 13.1148
253 4YUW S4M 0.005903 0.41675 13.4228
254 4YUW 4JU 0.006057 0.41675 13.4228
255 4Y2H SAH 0.0002856 0.42797 13.7584
256 4Y2H 49K 0.0003983 0.42304 13.7584
257 4TXI FAD 0.0003065 0.40669 13.7584
258 2PWY SAH 0.000004134 0.43435 14.7287
259 3EGV SAH 0.000004464 0.5815 14.9606
260 2NXE SAM 0.000004318 0.57571 14.9606
261 1NVM NAD 0.001918 0.41791 15.4362
262 4R6W PC 0.001228 0.41799 16.2791
263 4R6W SAH 0.0004195 0.40208 16.2791
264 2YVF NAD 0.003392 0.40823 16.443
265 2YVF FAD 0.003444 0.40729 16.443
266 3E1T FAD 0.0008862 0.41549 20.4698
267 2Q1W NAD 0.002091 0.41397 23.4899
268 1UO5 PIH 0.001711 0.46551 26.4706
269 1JG3 ADN 0.000003442 0.5803 27.234
270 1R18 SAH 0.000005246 0.4253 31.2775
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