Receptor
PDB id Resolution Class Description Source Keywords
5HJM 1.76 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF PYROCOCCUS ABYSSI TRM5A COMPLEXED WITH PYROCOCCUS ABYSSI (STRAIN GE5 / ORSAY)ORGANISM_TAXID: 272844 METHYLTRANSFERASE TRM5A SAM TRNA MODIFICATION TRANSFERAS
Ref.: CRYSTAL STRUCTURES OF THE BIFUNCTIONAL TRNA METHYLTRANSFERASE TRM5A SCI REP V. 6 33553 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MTA A:401;
Valid;
none;
submit data
297.334 C11 H15 N5 O3 S CSC[C...
ACT A:402;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
HSL A:403;
Valid;
none;
submit data
101.104 C4 H7 N O2 C1COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HJM 1.76 Å EC: 2.1.1.228 CRYSTAL STRUCTURE OF PYROCOCCUS ABYSSI TRM5A COMPLEXED WITH PYROCOCCUS ABYSSI (STRAIN GE5 / ORSAY)ORGANISM_TAXID: 272844 METHYLTRANSFERASE TRM5A SAM TRNA MODIFICATION TRANSFERAS
Ref.: CRYSTAL STRUCTURES OF THE BIFUNCTIONAL TRNA METHYLTRANSFERASE TRM5A SCI REP V. 6 33553 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5HJM - HSL C4 H7 N O2 C1COC(=O)[....
2 5HJI - ADN C10 H13 N5 O4 c1nc(c2c(n....
3 5HJK - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5HJM - HSL C4 H7 N O2 C1COC(=O)[....
2 5HJI - ADN C10 H13 N5 O4 c1nc(c2c(n....
3 5HJK - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5HJM - HSL C4 H7 N O2 C1COC(=O)[....
2 5HJI - ADN C10 H13 N5 O4 c1nc(c2c(n....
3 5HJK - SAH C14 H20 N6 O5 S c1nc(c2c(n....
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: HSL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HSL 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HJM; Ligand: MTA; Similar sites found: 536
This union binding pocket(no: 1) in the query (biounit: 5hjm.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RVG TYD 0.002329 0.44868 1.42045
2 4RVG SAM 0.002521 0.44511 1.42045
3 1BXK NAD 0.009805 0.40469 1.42045
4 3ZG6 APR 0.004352 0.40932 1.68919
5 2IID FAD 0.008494 0.43073 1.70455
6 2IID PHE 0.008494 0.43073 1.70455
7 4CNK FAD 0.008167 0.41862 1.70455
8 3GMB FAD 0.01426 0.40338 1.70455
9 3EVG SAH 0.000004439 0.52647 1.81818
10 3IID APR 0.01139 0.40049 1.89573
11 1ZEM NAD 0.004019 0.41895 1.9084
12 4A6D SAM 0.004496 0.43544 1.983
13 3QOX SAH 0.000000774 0.57412 1.98864
14 5MW4 5JU 0.00001423 0.54722 1.98864
15 5JAQ NAI 0.0006362 0.47039 1.98864
16 1D4D FAD 0.002325 0.44872 1.98864
17 2HQM FAD 0.002678 0.4449 1.98864
18 1GET FAD 0.00648 0.44317 1.98864
19 1GET NAP 0.006871 0.44317 1.98864
20 2Z3Y F2N 0.003152 0.44259 1.98864
21 3P9C SAH 0.008687 0.43821 1.98864
22 4Z24 FAD 0.007169 0.42512 1.98864
23 3NTA FAD 0.01303 0.40933 1.98864
24 1ORR NAD 0.005815 0.4198 2.01729
25 4JNA FAD 0.00971 0.41902 2.05882
26 5E1M PRO PRO LYS ARG ILE ALA 0.0001334 0.49474 2.07469
27 5E1M SAH 0.0001334 0.49474 2.07469
28 2DPM SAM 0.00006764 0.48849 2.11268
29 5J60 FAD 0.01169 0.41342 2.1875
30 4ZRN NAD 0.008614 0.41328 2.24359
31 4ZRN UPG 0.0204 0.40892 2.24359
32 4UCI SAM 0.0004747 0.44821 2.27273
33 3GF4 FAD 0.005273 0.44059 2.27273
34 1GPE FAD 0.004039 0.43945 2.27273
35 3QVP FAD 0.004568 0.43513 2.27273
36 3AYI HCI 0.01306 0.42109 2.27273
37 3AYI FAD 0.01261 0.42109 2.27273
38 3GF4 UPG 0.01501 0.421 2.27273
39 1MO9 KPC 0.02586 0.42019 2.27273
40 1MO9 FAD 0.02605 0.41954 2.27273
41 3WMX NAD 0.01145 0.40171 2.27273
42 3PFG TLO 0.005736 0.45581 2.28137
43 3PFG SAM 0.005736 0.45581 2.28137
44 2OOR TXP 0.007828 0.40767 2.29885
45 2WSB NAD 0.001563 0.45361 2.3622
46 1QZZ SAM 0.008306 0.41511 2.40642
47 4TQG NDP 0.001097 0.44669 2.47678
48 3F8D FAD 0.04017 0.40608 2.47678
49 4RPL 3UC 0.002605 0.46305 2.50627
50 4RPL FAD 0.003983 0.45212 2.50627
51 2XVM SAH 0.00009368 0.45419 2.51256
52 5KOK SAH 0.00003558 0.49579 2.55682
53 5KOK S9T 0.0004711 0.4701 2.55682
54 1XDS SAM 0.00005068 0.46656 2.55682
55 5KOK R9T 0.001535 0.44576 2.55682
56 5HSA FAS 0.002906 0.44226 2.55682
57 5FJN BE2 0.003987 0.43971 2.55682
58 5FJN FAD 0.003468 0.43971 2.55682
59 1FP2 SAH 0.003193 0.43389 2.55682
60 4HA6 FAD 0.004891 0.43375 2.55682
61 2VVM FAD 0.00619 0.42615 2.55682
62 2R4J FAD 0.009869 0.42614 2.55682
63 2R4J 13P 0.009869 0.42614 2.55682
64 2VVL FAD 0.008334 0.42116 2.55682
65 3NKS FAD 0.008229 0.41744 2.55682
66 5I39 FAD 0.009334 0.41597 2.55682
67 3ICS FAD 0.009499 0.41562 2.55682
68 3ICR FAD 0.009377 0.41485 2.55682
69 3RHJ NAP 0.009847 0.41388 2.55682
70 3ICT FAD 0.01181 0.41028 2.55682
71 1RKX NAD 0.00947 0.4079 2.55682
72 5UAO FAD 0.01945 0.40321 2.55682
73 2O07 MTA 0.0001424 0.48408 2.63158
74 2O07 SPD 0.0001693 0.48408 2.63158
75 4FWE FAD 0.01166 0.41622 2.63819
76 5A3B APR 0.003798 0.42003 2.64026
77 2A14 SAH 0.001947 0.42604 2.6616
78 3G2O SAM 0.000004773 0.52526 2.67559
79 1G60 SAM 0.000002877 0.54197 2.69231
80 5KMS NAD 0.01849 0.41663 2.71605
81 5KMS FAD 0.01556 0.40379 2.71605
82 1GEG NAD 0.003326 0.42682 2.73438
83 4PIO SAH 0.0004392 0.47147 2.78638
84 4PIO AVI 0.0004297 0.47053 2.78638
85 5GWX SAR 0.001062 0.44421 2.8169
86 5GWX SAM 0.001062 0.44421 2.8169
87 2JAH NDP 0.009935 0.40697 2.83401
88 5X62 SAH 0.00004121 0.47878 2.84091
89 1Y8Q ATP 0.0004631 0.45649 2.84091
90 1F3L SAH 0.002616 0.45005 2.84091
91 5WGR FAD 0.00438 0.43306 2.84091
92 3KLJ FAD 0.004609 0.42434 2.84091
93 3EYA FAD 0.005806 0.42215 2.84091
94 3NYC IAR 0.01206 0.42126 2.84091
95 3NYC FAD 0.01206 0.42126 2.84091
96 5TTJ FAD 0.01018 0.41523 2.84091
97 2V3B FAD 0.01483 0.40575 2.84091
98 2V3A FAD 0.01617 0.40502 2.84091
99 4XQC 13D 0.02674 0.40022 2.84091
100 3CGB FAD 0.01299 0.40839 2.91667
101 4ZCC NAI 0.02169 0.40915 2.97619
102 4ZCC FAD 0.02169 0.40915 2.97619
103 3O7W SAM 0.0001491 0.44587 3.06122
104 2Q7V FAD 0.006871 0.42503 3.07692
105 2AE2 PTO 0.01549 0.40778 3.07692
106 2AE2 NAP 0.01549 0.40778 3.07692
107 1Q0S SAH 0.00001143 0.52601 3.0888
108 5K7U SAM 0.0005268 0.44143 3.11111
109 3SSO SAH 0.001378 0.45612 3.125
110 5BR7 FAD 0.003427 0.45391 3.125
111 5BR7 FLC 0.003427 0.45391 3.125
112 3S5W FAD 0.002597 0.43293 3.125
113 2CDU FAD 0.005343 0.4249 3.125
114 5G3U FDA 0.01075 0.41316 3.125
115 1ZBQ NAD 0.01016 0.40774 3.125
116 5MZI FYK 0.03721 0.40317 3.125
117 5MZI FAD 0.039 0.40156 3.125
118 2E5V FAD 0.02437 0.40128 3.125
119 5G3U ITW 0.02556 0.40114 3.125
120 1TPY SAH 0.000595 0.44808 3.13589
121 1WG8 SAM 0.00001605 0.51964 3.15789
122 4XUC 43G 0.00001904 0.53275 3.21101
123 4XUC SAM 0.00001904 0.53275 3.21101
124 5KVA SAM 0.0008407 0.44166 3.23741
125 2WA2 SAM 0.00000736 0.50923 3.26087
126 1RJD SAM 0.0004094 0.45302 3.29341
127 5IL1 SAM 0.0003092 0.45106 3.30189
128 3FUU ADN 0.00009325 0.47809 3.32103
129 2PZM UDP 0.012 0.41563 3.33333
130 2PZM NAD 0.012 0.41563 3.33333
131 4QTU SAM 0.00001567 0.51084 3.36538
132 5DLY SAH 0.00009621 0.5053 3.38346
133 5DLY 5D7 0.0001097 0.5053 3.38346
134 1FP1 SAH 0.002375 0.44202 3.40909
135 2RAB NAD 0.009737 0.43458 3.40909
136 2RAB FAD 0.004914 0.43458 3.40909
137 1I8T FAD 0.005 0.4294 3.40909
138 3UCL NAP 0.02333 0.41719 3.40909
139 3UCL FAD 0.02151 0.41719 3.40909
140 3UCL CYH 0.02151 0.41719 3.40909
141 1XSE NDP 0.01259 0.41194 3.40909
142 2FK8 SAM 0.000644 0.44465 3.45912
143 3VC1 GST 0.0001719 0.4976 3.52564
144 3VC1 SAH 0.0001719 0.4976 3.52564
145 4FN4 NAD 0.001389 0.44362 3.54331
146 3P2E SAH 0.0004856 0.44987 3.55556
147 1S7G APR 0.001739 0.44332 3.55731
148 1S7G NAD 0.008798 0.40933 3.55731
149 3JWH SAH 0.000006513 0.48825 3.68664
150 4D7E FAD 0.0005445 0.46985 3.69318
151 1QO8 FAD 0.003948 0.43711 3.69318
152 1GTE FAD 0.01355 0.42446 3.69318
153 2XVF FAD 0.005927 0.42394 3.69318
154 4D04 FAD 0.01661 0.42146 3.69318
155 4D04 NAP 0.01661 0.42146 3.69318
156 4G74 FAD 0.006571 0.42082 3.69318
157 4G74 UQ5 0.01128 0.42027 3.69318
158 4TXI FAD 0.006054 0.41781 3.69318
159 4IV9 FAD 0.0116 0.41359 3.69318
160 2BRY FAD 0.009287 0.41066 3.69318
161 5GM1 SAH 0.00004027 0.50029 3.7037
162 3OFK SAH 0.003404 0.41932 3.7037
163 4DCM SAM 0.000007229 0.50352 3.73333
164 4N49 SAM 0.00002269 0.50647 3.73832
165 3C3Y SAH 0.002277 0.41939 3.79747
166 3N5O GSH 0.004496 0.40253 3.82979
167 5E9W SAH 0.00007973 0.45002 3.84615
168 4M52 FAD 0.003589 0.43902 3.86266
169 2A8X FAD 0.01337 0.41346 3.87931
170 4NTC FAD 0.01955 0.40401 3.8806
171 3EVF SAH 0.00004065 0.52088 3.97112
172 3EVF GTA 0.00005005 0.52088 3.97112
173 4FC7 COA 0.01028 0.41786 3.97112
174 4FC7 NAP 0.01028 0.41786 3.97112
175 1SQF SAM 0.0000116 0.50974 3.97727
176 2EG5 SAH 0.00003114 0.47109 3.97727
177 2JB2 FAD 0.001674 0.45116 3.97727
178 2JB2 PHE 0.001767 0.45116 3.97727
179 3HDY FAD 0.006466 0.44062 3.97727
180 3HDY FDA 0.006807 0.43954 3.97727
181 3HDY GDU 0.007026 0.43954 3.97727
182 1M2K APR 0.001963 0.43408 3.97727
183 2XVE FAD 0.008917 0.43322 3.97727
184 1RSG FAD 0.005018 0.43229 3.97727
185 3CTY FAD 0.009966 0.42028 3.97727
186 2RGO FAD 0.007723 0.4187 3.97727
187 5LW0 AR6 0.005501 0.40997 3.97727
188 1KEW NAD 0.03323 0.40029 3.97727
189 5N5D SAM 0.0002574 0.45945 3.9823
190 4GUT FAD 0.01104 0.41989 4.03226
191 4HSU FAD 0.01057 0.41908 4.03226
192 4GUS FAD 0.01158 0.41723 4.03226
193 1BC5 SAH 0.0006517 0.44827 4.08922
194 4ITU 1HS 0.003659 0.43863 4.08922
195 4ITU NAI 0.002213 0.43863 4.08922
196 1IY8 NAD 0.001197 0.44789 4.11985
197 3OU2 SAH 0.0001766 0.43426 4.12844
198 1U7T TDT 0.00295 0.44197 4.21456
199 3WDM ADN 0.003955 0.42608 4.21456
200 3I53 SAH 0.00006818 0.48614 4.21687
201 4NEC SAH 0.00001073 0.49621 4.26136
202 2ZWA SAH 0.0004057 0.4552 4.26136
203 5U8U FAD 0.005079 0.44767 4.26136
204 1ZMD FAD 0.002831 0.44476 4.26136
205 5BVA FAD 0.003489 0.44149 4.26136
206 3LAD FAD 0.00333 0.44053 4.26136
207 3GDN HBX 0.007392 0.43132 4.26136
208 3GDN FAD 0.005266 0.43132 4.26136
209 4RSL FAD 0.005327 0.42496 4.26136
210 3E1T FAD 0.009656 0.42003 4.26136
211 5JCM ISD 0.02783 0.41172 4.26136
212 5JCM NAD 0.02783 0.41172 4.26136
213 5JCM FAD 0.02707 0.41172 4.26136
214 1ZMD NAI 0.005511 0.41147 4.26136
215 1EU1 MGD 0.01251 0.40914 4.26136
216 2V6G NAP 0.01035 0.40617 4.26136
217 3LCV SAM 0.0001675 0.47365 4.27046
218 1OC2 NAD 0.01335 0.42207 4.31034
219 1OC2 TDX 0.01335 0.42207 4.31034
220 2JHP SAH 0.00309 0.40497 4.34783
221 3CGD NAD 0.0159 0.42972 4.375
222 3CGD FAD 0.0159 0.42972 4.375
223 3CGD COA 0.0159 0.42972 4.375
224 1DL5 SAH 0.00000591 0.54269 4.4164
225 3NUG NAD 0.002729 0.43197 4.45344
226 1YC5 NCA 0.005667 0.41385 4.47154
227 4BUZ OCZ 0.007959 0.41127 4.47154
228 4BUZ NAD 0.006485 0.41127 4.47154
229 4BUZ OAD 0.007959 0.41127 4.47154
230 3T7S SAM 0.000006784 0.51895 4.47761
231 5DM1 SAH 0.00006577 0.51414 4.49438
232 5DM1 5D7 0.00007026 0.51414 4.49438
233 3HVJ 705 0.00002173 0.53465 4.52489
234 4ONQ SFG 0.00003247 0.4914 4.54545
235 1X87 NAD 0.0001723 0.47313 4.54545
236 5E8J SAH 0.0000737 0.45763 4.54545
237 2WPF FAD 0.008381 0.44992 4.54545
238 2WPF WPF 0.01194 0.44217 4.54545
239 4HXY NDP 0.002054 0.43747 4.54545
240 5EB4 FAD 0.006273 0.42588 4.54545
241 3LU1 NAD 0.004249 0.4221 4.54545
242 5BUK FAD 0.009346 0.42158 4.54545
243 2C5A NAD 0.01752 0.41501 4.54545
244 2C5A GDC 0.01752 0.41501 4.54545
245 4BV6 FAD 0.01227 0.41339 4.54545
246 3IHG FAD 0.007799 0.40909 4.54545
247 4USR FAD 0.01121 0.40699 4.54545
248 4U8P FDA 0.04073 0.4047 4.54545
249 4U8P UDP 0.04281 0.4047 4.54545
250 5XVK SAH 0.00161 0.43136 4.57746
251 5XVQ SAH 0.001979 0.4275 4.57746
252 4J36 1HR 0.01895 0.40639 4.57831
253 4J36 FAD 0.01322 0.40375 4.57831
254 4FZV SAM 0.00002495 0.50472 4.60251
255 4R6W PC 0.0003394 0.49537 4.65116
256 4R6W SAH 0.0001169 0.49436 4.65116
257 1Z3C SA8 0.00004618 0.50906 4.69799
258 2CFC NAD 0.009386 0.40553 4.8
259 5DNK SAH 0.00004466 0.44823 4.82955
260 1BZL FAD 0.01141 0.44359 4.82955
261 1H82 GZZ 0.0239 0.41316 4.82955
262 1H82 FAD 0.02048 0.41316 4.82955
263 4J56 FAD 0.01548 0.41134 4.82955
264 4EIP FAD 0.0287 0.40035 4.82955
265 4EIP K2C 0.0287 0.40035 4.82955
266 1R18 SAH 0.004739 0.43796 4.84582
267 2P41 SAH 0.000004084 0.52789 4.91803
268 2XYQ SAH 0.0009116 0.43308 4.91803
269 4CQM NAP 0.002431 0.43286 4.91803
270 4YUW 4JU 0.003871 0.46958 4.93421
271 4YUW S4M 0.003793 0.46958 4.93421
272 3LKZ SFG 0.0000172 0.50913 4.98442
273 4YMH SAH 0.00004956 0.49203 5
274 1EJ0 SAM 0.00004353 0.48683 5
275 5MGZ SAH 0.000002697 0.54316 5.08475
276 1I1N SAH 0.000003748 0.5534 5.11364
277 3S1S SAH 0.00005192 0.49554 5.11364
278 1N4W FAD 0.003036 0.44335 5.11364
279 2IVD FAD 0.002698 0.43837 5.11364
280 4TM3 FAD 0.02445 0.41619 5.11364
281 4MOP 2H5 0.01806 0.41366 5.11364
282 4II2 ATP 0.005312 0.40563 5.11364
283 2YY7 NAD 0.00683 0.41423 5.12821
284 5M58 SAH 0.000011 0.51735 5.21739
285 1L1E SAH 0.001155 0.43385 5.22648
286 2EXX NAP 0.007806 0.41521 5.22876
287 2GAG NAD 0.003705 0.43323 5.2381
288 1NFQ NAI 0.01153 0.40527 5.38462
289 3PT9 SAH 0.000003444 0.53119 5.39773
290 3GU3 SAH 0.000006773 0.47531 5.39773
291 5MPT SAH 0.0002465 0.4552 5.39773
292 3SQP FAD 0.01541 0.45386 5.39773
293 3GWZ SAH 0.0001244 0.45008 5.39773
294 5T67 JHZ 0.003382 0.44304 5.39773
295 4MO2 FDA 0.002379 0.44198 5.39773
296 5T67 SAH 0.003147 0.43966 5.39773
297 4MO2 FAD 0.003385 0.43611 5.39773
298 3GXO SAH 0.0005461 0.43156 5.39773
299 2GV8 FAD 0.004705 0.42513 5.39773
300 1VQW FAD 0.004874 0.42325 5.39773
301 5F2K SAH 0.005098 0.42115 5.39773
302 5F2K OCA 0.005098 0.42115 5.39773
303 2GVC FAD 0.005934 0.41941 5.39773
304 1ZGA SAH 0.01206 0.40777 5.39773
305 2PXX SAH 0.00009963 0.47688 5.5814
306 3C6K MTA 0.0002789 0.48301 5.68182
307 3C6K SPD 0.0002789 0.48301 5.68182
308 3NDJ SAH 0.003147 0.4454 5.68182
309 3NDJ JHZ 0.003147 0.4454 5.68182
310 5MBX FAD 0.01819 0.41494 5.68182
311 5MBX SP5 0.01819 0.41494 5.68182
312 2AG5 NAD 0.006418 0.41416 5.69106
313 1IM8 SAI 0.01679 0.41053 5.7377
314 5MF6 7M2 0.008556 0.40987 5.96026
315 5MF6 AR6 0.008556 0.40987 5.96026
316 4KIB SAH 0.0000003881 0.56175 5.96591
317 4C4A SAH 0.000006192 0.52789 5.96591
318 2YG3 FAD 0.006406 0.42546 5.96591
319 4REP FAD 0.008627 0.41853 5.96591
320 4X9M FAD 0.01039 0.41578 5.96591
321 2Y6Q FAD 0.009655 0.40873 5.96591
322 2Y6Q I7T 0.01908 0.40873 5.96591
323 2ZFU SAH 0.0001088 0.47751 6.04651
324 2ZIF SAM 0.000001077 0.56001 6.06061
325 1XKQ NDP 0.006861 0.41658 6.07143
326 3H8V ATP 0.001601 0.42178 6.16438
327 4M73 M72 0.00001492 0.54207 6.23145
328 4M73 SAH 0.00001641 0.53871 6.23145
329 1U2Z SAH 0.0000008394 0.5726 6.25
330 3TKY SAH 0.00002581 0.50168 6.25
331 5FTW SAH 0.00003319 0.49944 6.25
332 1GY8 NAD 0.001923 0.43874 6.25
333 1NAA ABL 0.006998 0.43399 6.25
334 1NAA 6FA 0.004833 0.43399 6.25
335 1YY5 FAD 0.006274 0.42964 6.25
336 3ABI NAD 0.007655 0.41076 6.25
337 3GD4 FAD 0.004487 0.44615 6.26223
338 3GD4 NAD 0.006856 0.44615 6.26223
339 5ITV NAI 0.001456 0.44411 6.27451
340 1DJL NAP 0.0123 0.40516 6.28019
341 1N2X SAM 0.0001068 0.48206 6.31229
342 5CUQ NSC 0.000007368 0.54791 6.36704
343 1XCL SAH 0.0003206 0.4748 6.38298
344 1JQD SAH 0.001187 0.44665 6.50685
345 2AOT SAH 0.0002518 0.44169 6.50685
346 1JQD HSM 0.004613 0.41633 6.50685
347 1UWK NAD 0.0002461 0.49603 6.53409
348 1UWK URO 0.0002461 0.49603 6.53409
349 4EUE NAI 0.0003611 0.47249 6.53409
350 4E70 N7I 0.000407 0.46722 6.53409
351 1Q9I TEO 0.007409 0.43501 6.53409
352 1Q9I FAD 0.007409 0.43501 6.53409
353 4JDR FAD 0.004278 0.43453 6.53409
354 4C3Y FAD 0.007175 0.42416 6.53409
355 4C3Y ANB 0.009515 0.42292 6.53409
356 3NTD FAD 0.01098 0.41274 6.53409
357 3UOY FAD 0.03823 0.40606 6.53409
358 3UOY NAP 0.03823 0.40606 6.53409
359 1NW5 SAM 0.00001573 0.51078 6.58307
360 1KPG SAH 0.0005407 0.44986 6.62021
361 5E72 SAM 0.000007608 0.52909 6.6474
362 1NV8 MEQ 0.000006374 0.54327 6.69014
363 1NV8 SAM 0.000007059 0.54327 6.69014
364 5ULP KB1 0.000004092 0.54531 6.71642
365 1G8K MGD 0.01456 0.42724 6.76692
366 3L9W AMP 0.00006711 0.50351 6.77966
367 3L9W GSH 0.0002599 0.47426 6.77966
368 1XHC FAD 0.007682 0.41774 6.81199
369 2WET FAD 0.01522 0.40906 6.81818
370 4AP3 FAD 0.03021 0.40758 6.81818
371 4AP3 NAP 0.03021 0.40758 6.81818
372 4BLW AMP 0.00001936 0.53242 6.92042
373 4BLW SAH 0.00001702 0.52263 6.92042
374 4J7U NAP 0.01916 0.4053 6.94444
375 4J7U YTZ 0.01916 0.4053 6.94444
376 1D4O NAP 0.009344 0.4029 7.06522
377 1XTP SAI 0.000003656 0.52997 7.08661
378 1Z6Z NAP 0.01171 0.40255 7.0922
379 5FA5 MTA 0.00000529 0.50909 7.10227
380 3X0D SAH 0.00001997 0.50639 7.10227
381 1PN0 FAD 0.00412 0.44081 7.10227
382 1PN0 IPH 0.004296 0.44081 7.10227
383 3FRH SAH 0.0001574 0.47482 7.11462
384 3VYW SAM 0.0002398 0.4629 7.14286
385 4X60 SFG 0.000002177 0.42575 7.14286
386 4X60 3XV 0.000002345 0.42073 7.14286
387 5JGL SAM 0.0001593 0.45666 7.26644
388 4GQB 0XU 0.001891 0.49018 7.26744
389 3RIY NAD 0.002881 0.42958 7.32601
390 3DXY SAM 0.00007069 0.45076 7.33945
391 1FEC FAD 0.003436 0.44362 7.38636
392 1COY FAD 0.00409 0.43542 7.38636
393 4YNU LGC 0.008236 0.42752 7.38636
394 4YNU FAD 0.006968 0.42752 7.38636
395 1COY AND 0.01549 0.41966 7.38636
396 3LXD FAD 0.009127 0.41326 7.46988
397 4POO SAM 0.0000928 0.48669 7.5
398 1P1C SAH 0.000365 0.4591 7.53769
399 4PNE SAH 0.0001281 0.47866 7.61589
400 3G89 SAM 0.00001312 0.48452 7.63052
401 5O4J 9KH 0.01467 0.40283 7.66423
402 5O4J SAH 0.01467 0.40283 7.66423
403 5O4J PJL 0.01561 0.4005 7.66423
404 5K8V 6RE 0.000009246 0.57142 7.67045
405 3AB1 FAD 0.008734 0.41927 7.67045
406 5DWQ SFG 0.00000194 0.55933 7.73639
407 5DX0 SFG 0.0000025 0.55683 7.73639
408 2PT9 S4M 0.0001388 0.48101 7.78816
409 2PT9 2MH 0.0002694 0.48101 7.78816
410 3GCZ SAM 0.000004884 0.52482 7.80142
411 4M38 SAH 0.00002827 0.5024 7.87172
412 4M37 SAH 0.009715 0.41991 7.87172
413 1V59 FAD 0.001462 0.46001 7.95455
414 1V59 NAD 0.0004342 0.42284 7.95455
415 4EMI NAD 0.02315 0.4132 7.95455
416 4EMI FAD 0.01073 0.4132 7.95455
417 4EMJ FAD 0.013 0.41035 7.95455
418 1ELI PYC 0.007181 0.42118 7.96915
419 3LCC SAH 0.000002914 0.52666 8.08511
420 4KRG SAH 0.000001533 0.53666 8.23864
421 4YRY FAD 0.01011 0.41821 8.23864
422 4YRY NAD 0.02446 0.40808 8.23864
423 1O97 FAD 0.001099 0.47376 8.33333
424 1O97 AMP 0.001099 0.47376 8.33333
425 4KRI SAH 0.00003449 0.49873 8.52273
426 1LSS NAD 0.00005976 0.48858 8.57143
427 3ZNN 4WL 0.01957 0.41478 8.64553
428 3ZNN FAD 0.01957 0.41478 8.64553
429 3WGT QSC 0.02864 0.40192 8.64553
430 3WGT FAD 0.02761 0.40192 8.64553
431 3QFA FAD 0.01054 0.41736 8.67052
432 2HNK SAH 0.0005668 0.44701 8.78661
433 2I7C AAT 0.0003641 0.47513 8.83392
434 1QAN SAH 0.000001776 0.55612 9.01639
435 5JJR SAH 0.000006179 0.52057 9.09091
436 1YQZ FAD 0.01318 0.42438 9.09091
437 3CH6 NAP 0.02068 0.41621 9.09091
438 3CH6 311 0.02068 0.41621 9.09091
439 1E1M FAD 0.02578 0.40698 9.09091
440 1E1M NAP 0.02578 0.40698 9.09091
441 2RGJ FAD 0.01339 0.40351 9.09091
442 3BXO SAM 0.000004737 0.50144 9.20502
443 4YAG NAI 0.006928 0.42581 9.34256
444 4AZT SAM 0.00001899 0.50013 9.375
445 4AZW SAM 0.00003281 0.49728 9.375
446 4MIG G3F 0.007619 0.42911 9.375
447 1KYZ SAH 0.01423 0.41041 9.375
448 3DUW SAH 0.0002724 0.45841 9.41704
449 4IWN GEK 0.000004656 0.54059 9.60699
450 3MQ2 SAH 0.0004431 0.43807 9.63303
451 1KPH SAH 0.0006777 0.44566 9.7561
452 3A4T SFG 0.000003828 0.54185 9.85401
453 1E6E FAD 0.009202 0.41417 10.1562
454 4YSX FAD 0.02092 0.40175 10.2837
455 3RNM FAD 0.00416 0.43701 10.3448
456 3FPF TNA 0.0001113 0.50501 10.4027
457 3FPF MTA 0.0001113 0.50501 10.4027
458 1JQ3 AAT 0.0001134 0.49645 10.473
459 2Q1W NAD 0.006283 0.4183 10.5105
460 3TLJ SAH 0.000001977 0.55659 10.5114
461 2EJU SAH 0.000001704 0.54388 10.5114
462 2JJQ SAH 0.0000018 0.51835 10.5114
463 5THZ SAH 0.0003239 0.46133 10.5114
464 5THY SAH 0.0003685 0.45497 10.5114
465 5F8F SFG 0.0002636 0.44296 10.5114
466 1ZQ9 SAM 0.0006203 0.43881 10.5114
467 2IV2 MGD 0.01687 0.40218 10.5114
468 3Q87 SAM 0.000002078 0.55566 10.5882
469 1VE3 SAM 0.00000279 0.53472 11.0132
470 1E3W NAD 0.001926 0.43734 11.1111
471 3GRU AMP 0.00006824 0.49043 11.1864
472 3U31 NAD 0.005249 0.40758 11.3793
473 2BZG SAH 0.000001443 0.54641 11.6379
474 4LWP SAH 0.000001273 0.54858 11.9318
475 3EGV SAH 0.0001065 0.46551 11.9318
476 2NXE SAM 0.0001692 0.46236 11.9318
477 1T9D FAD 0.005714 0.42775 11.9318
478 1T9D P25 0.02146 0.42424 11.9318
479 1T9D 1MM 0.02998 0.41744 11.9318
480 1T9D PYD 0.02933 0.41744 11.9318
481 4J1Q NDP 0.0115 0.4003 12.2845
482 3H2B SAH 0.000005154 0.53126 12.3153
483 3ELW SAM 0.00002549 0.53692 12.3333
484 3ELW GP3 0.00002925 0.53544 12.3333
485 3GDH SAH 0.0000004774 0.53245 12.4481
486 4NBW NAD 0.007474 0.40855 12.4514
487 4Y2H SAH 0.000006128 0.56258 12.5
488 4Y2H 49K 0.000007813 0.55776 12.5
489 4DSG UDP 0.03296 0.40574 12.5
490 4DSG FAD 0.03296 0.40574 12.5
491 2PX8 SAH 0.0001109 0.46862 12.6394
492 4K26 NDP 0.01168 0.40383 12.6812
493 4K26 SFF 0.02155 0.40023 12.6812
494 2BD0 NAP 0.01275 0.40331 12.7049
495 5JCA FAD 0.0155 0.40958 12.7841
496 5JCA NDP 0.03179 0.40711 12.7841
497 3AD8 NAD 0.00306 0.43354 12.8713
498 5LOG SAH 0.0001016 0.47652 12.8755
499 1L3I SAH 0.01646 0.4184 13.0208
500 2FR1 NDP 0.004865 0.42206 13.0682
501 3EGI ADP 0.000001101 0.47981 13.1068
502 4NBU NAI 0.002664 0.43244 13.2
503 3QWI NAP 0.009917 0.40938 13.3333
504 1G55 SAH 0.0000005081 0.57381 13.4111
505 3BGD SAH 0.000003856 0.54412 13.4615
506 3BGD PM6 0.00001116 0.5326 13.4615
507 2OBF SAH 0.005359 0.43097 13.8408
508 2OBF F83 0.005359 0.43097 13.8408
509 1KNR FAD 0.01599 0.40715 13.9205
510 3G5S FAD 0.01503 0.40549 13.9205
511 2B4Q NAP 0.00796 0.41 14.1304
512 5FA8 SAM 0.0000001327 0.60707 14.2857
513 1EFV AMP 0.000824 0.48054 14.902
514 1EFV FAD 0.000824 0.48054 14.902
515 4OBW SAM 0.00008516 0.47347 15.1751
516 2Q46 NAP 0.006652 0.41215 15.415
517 1PNO NAP 0.01099 0.40378 16.1111
518 1JG3 ADN 0.00002557 0.49481 16.1702
519 4DMG SAM 0.0000000712 0.65301 16.1932
520 1I9G SAM 0.04445 0.41512 16.4286
521 5JE0 SAH 0.000004332 0.5564 16.5992
522 5JE0 AZ8 0.000004332 0.5564 16.5992
523 5BW4 SAM 0.00008621 0.46796 17.9775
524 3DMH GMP 0.000001966 0.56568 18.75
525 3DMH SAM 0.000001334 0.55882 18.75
526 3VSE SAH 0.0000001519 0.54601 20.7386
527 1XG5 NAP 0.01197 0.40336 20.7885
528 5L95 AMP 0.0007464 0.43989 21.25
529 2F5Z FAD 0.003247 0.442 21.875
530 1WY7 SAH 0.0000007969 0.57101 24.6377
531 5DX8 SFG 0.000001635 0.56014 31.5789
532 5DXA SFG 0.000002293 0.55382 31.5789
533 2VDV SAM 0.0000006644 0.59868 33.7398
534 5DX1 SFG 0.000001295 0.56924 36.8421
535 3A27 SAM 0.0000007587 0.55816 45.5882
536 3A25 SAM 0.000005087 0.524 47.5083
Pocket No.: 2; Query (leader) PDB : 5HJM; Ligand: HSL; Similar sites found: 14
This union binding pocket(no: 2) in the query (biounit: 5hjm.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DRB 5FJ 0.00419 0.45123 2.74914
2 1VL0 NAI 0.04796 0.40532 3.08219
3 1J0D 5PA 0.04267 0.40174 3.22581
4 5I7A 68Q 0.03556 0.41153 3.68098
5 5E9W SAH 0.007672 0.4017 3.84615
6 1F2U ATP 0.0277 0.42712 4.05405
7 2JHP SAH 0.001158 0.43623 4.34783
8 5E8J SAH 0.006587 0.40469 4.54545
9 3B2Q ATP 0.01686 0.42072 7.10227
10 5JGL SAM 0.008693 0.40728 7.26644
11 3AJM 4IP 0.006897 0.43034 8.4507
12 1PUJ GNP 0.006032 0.42518 9.57447
13 4BQS ADP 0.00301 0.42775 11.9318
14 4BQS K2Q 0.00301 0.42775 11.9318
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