Receptor
PDB id Resolution Class Description Source Keywords
5J60 1.9 Å EC: 1.-.-.- STRUCTURE OF A THIOREDOXIN REDUCTASE FROM GLOEOBACTER VIOLAC GLOEOBACTER VIOLACEUS (STRAIN PCC 7421ORGANISM_TAXID: 251221 OXIDOREDUCTASE THIOREDOXIN REDUCTASE
Ref.: A NEW MEMBER OF THE THIOREDOXIN REDUCTASE FAMILY FR OXYGENIC PHOTOSYNTHETIC ORGANISMS. MOL PLANT V. 10 212 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD D:401;
C:500;
A:401;
B:500;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
CA A:402;
B:502;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
PG4 B:501;
A:403;
Invalid;
Invalid;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5J60 1.9 Å EC: 1.-.-.- STRUCTURE OF A THIOREDOXIN REDUCTASE FROM GLOEOBACTER VIOLAC GLOEOBACTER VIOLACEUS (STRAIN PCC 7421ORGANISM_TAXID: 251221 OXIDOREDUCTASE THIOREDOXIN REDUCTASE
Ref.: A NEW MEMBER OF THE THIOREDOXIN REDUCTASE FAMILY FR OXYGENIC PHOTOSYNTHETIC ORGANISMS. MOL PLANT V. 10 212 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5J60 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5J60 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5MIR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5MH4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5MIQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5MIP - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 5MIT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5MJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5MIS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 1FL2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 3CTY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 2Q0K - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 2Q0L - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
12 5J60 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 2Q7V - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 3ITJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 1VDC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 3F8R - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
17 3F8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 3F8D - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 4UP3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
20 1TDF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 1CL0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 1TRB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
23 1TDE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5J60; Ligand: FAD; Similar sites found: 525
This union binding pocket(no: 1) in the query (biounit: 5j60.bio2) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2F5X ASP 0.007857 0.45428 0.961538
2 1NPD NAD 0.0005484 0.4591 1.38889
3 1F8G NAD 0.00068 0.46234 1.5625
4 1L7E NAI 0.0009185 0.44955 1.5625
5 5H81 NAP 0.002011 0.44153 1.5625
6 5E8J SAH 0.002967 0.45645 1.60256
7 1HYH NAD 0.0000942 0.46953 1.61812
8 5AOA PPI 0.02226 0.44062 1.74825
9 1NYT NAP 0.00156 0.4366 1.84502
10 3OJO NAD 0.000003454 0.55822 1.875
11 3QVP FAD 0.00000006317 0.55528 1.875
12 1OBB NAD 0.002436 0.43148 1.875
13 3CIF NAD 0.00002384 0.42628 1.875
14 4N49 SAM 0.006639 0.42159 1.875
15 1CF2 NAP 0.00005022 0.41187 1.875
16 2YVK MRU 0.01886 0.40976 1.875
17 3CIF G3H 0.0002984 0.40635 1.875
18 1EQ2 NAP 0.0007935 0.43661 1.93548
19 4R6W SAH 0.004888 0.40099 1.93798
20 3G2O SAM 0.002237 0.45019 2.00669
21 2VDV SAM 0.001803 0.46723 2.03252
22 1NU4 MLA 0.03347 0.40647 2.06186
23 1TL2 NDG 0.02339 0.42681 2.11864
24 3S5W FAD 0.0000001493 0.57766 2.1875
25 3S5W NAP 0.00003907 0.54386 2.1875
26 5LD5 NAD 0.0003053 0.47375 2.1875
27 5E4R NAP 0.001529 0.42816 2.1875
28 4KRG SAH 0.01141 0.42367 2.1875
29 5HJM MTA 0.01169 0.41342 2.1875
30 1YFS ALA 0.04456 0.40774 2.1875
31 5EOW FAD 0.000000007083 0.61207 2.22222
32 5KKA 6V0 0.002214 0.41409 2.24359
33 1E3W NAD 0.0008414 0.43561 2.29885
34 1E6W NAD 0.003385 0.41187 2.30769
35 2ZIF SAM 0.01253 0.41204 2.3569
36 5FUS DAO 0.04536 0.4002 2.43902
37 4UHF BUA 0.02676 0.40548 2.48227
38 3LCV SAM 0.004133 0.42462 2.4911
39 5JWC FAD 0.000000008904 0.6032 2.5
40 2XVF FAD 0.00000008983 0.55778 2.5
41 5EVY FAD 0.000006482 0.54635 2.5
42 3WGT QSC 0.0000003383 0.53732 2.5
43 3WGT FAD 0.0000003096 0.53732 2.5
44 2XVE FAD 0.0000008881 0.53433 2.5
45 2VYN NAD 0.00001896 0.50419 2.5
46 1BXK NAD 0.0001178 0.47257 2.5
47 4JBL MET 0.00797 0.45253 2.5
48 2YYY NAP 0.0005564 0.44568 2.5
49 1E3I CXF 0.001229 0.41406 2.5
50 1P31 EPU 0.01757 0.40818 2.5
51 3TDC 0EU 0.001843 0.40803 2.5
52 4CJX NAP 0.0006351 0.45296 2.50784
53 3OA2 NAD 0.001183 0.43262 2.51572
54 3GGO ENO 0.0005584 0.41911 2.54777
55 3GGO NAI 0.0005584 0.41911 2.54777
56 3A4T SFG 0.002097 0.44072 2.55474
57 5CAE COA 0.001124 0.4458 2.55591
58 3A27 SAM 0.0002701 0.49315 2.57353
59 2UYQ SAM 0.01361 0.4412 2.58065
60 1U7T NAD 0.004347 0.41258 2.68199
61 1Q5H DUD 0.01477 0.41173 2.72109
62 2Q46 NAP 0.003119 0.41581 2.7668
63 1LUA NAP 0.001018 0.4583 2.78746
64 1RSG FAD 0.000000004402 0.5761 2.8125
65 1YY5 FAD 0.000000003137 0.56795 2.8125
66 2GV8 FAD 0.0000001619 0.56194 2.8125
67 2GVC FAD 0.0000001026 0.51436 2.8125
68 1OMO NAD 0.0001217 0.48698 2.8125
69 2R4J FAD 0.0000001431 0.48538 2.8125
70 2R4J 13P 0.0000001431 0.48538 2.8125
71 2GV8 NDP 0.000199 0.47788 2.8125
72 1ZH8 NAP 0.003158 0.41822 2.8125
73 2Z49 AMG 0.02745 0.41633 2.8125
74 4GKV NAD 0.001594 0.41464 2.8125
75 4BVA NDP 0.002881 0.41214 2.8125
76 3LKZ SFG 0.0138 0.41011 2.8125
77 2EJU SAH 0.01719 0.40862 2.8125
78 3GU3 SAH 0.006144 0.44915 2.8169
79 3GCZ SAM 0.02471 0.40118 2.83688
80 2G5C NAD 0.0001503 0.46497 2.84698
81 1LSS NAD 0.000002477 0.57594 2.85714
82 1QAN SAH 0.001938 0.44224 2.86885
83 5AYV KPL 0.0005394 0.40347 2.91262
84 1P77 ATR 0.00003266 0.583 2.94118
85 1JG3 ADN 0.000486 0.48122 2.97872
86 4II2 ATP 0.00001071 0.54733 3.06748
87 4JK3 NAD 0.00004704 0.49623 3.0888
88 4J4H 1J1 0.0009785 0.41481 3.0888
89 4J4H NAI 0.0009785 0.41481 3.0888
90 4G74 FAD 0.00000004676 0.57234 3.125
91 5UAO FAD 0.00000004059 0.54896 3.125
92 3ZNN FAD 0.0000007327 0.53404 3.125
93 3ZNN 4WL 0.0000007327 0.53404 3.125
94 1GPE FAD 0.00000005186 0.52618 3.125
95 4G74 UQ5 0.0000001784 0.50058 3.125
96 4DSG FAD 0.0000004339 0.4475 3.125
97 4DSG UDP 0.0000004339 0.4475 3.125
98 3PT9 SAH 0.005216 0.43297 3.125
99 1J0X NAD 0.0002432 0.43254 3.125
100 5F8F SFG 0.007748 0.43189 3.125
101 1YKF NAP 0.00122 0.42928 3.125
102 1LJ8 NAD 0.004607 0.42559 3.125
103 4DPL NAP 0.002313 0.41837 3.125
104 1M2W NAD 0.006082 0.41732 3.125
105 3MJE NDP 0.004346 0.40761 3.125
106 4XYB NDP 0.003748 0.40092 3.125
107 2NXE SAM 0.003022 0.44408 3.14961
108 2I7C AAT 0.000341 0.43935 3.18021
109 5J6Y GLC 0.03093 0.40538 3.19149
110 5J6Y BGC 0.03093 0.40538 3.19149
111 3MQ2 SAH 0.02657 0.40258 3.21101
112 3VPH OXM 0.00007743 0.43055 3.22581
113 3VPH NAD 0.0002042 0.41071 3.22581
114 2HYV UAP SGN IDS SGN IDS 0.04929 0.41034 3.24675
115 4YMH SAH 0.00666 0.42153 3.33333
116 2HNK SAH 0.01398 0.40696 3.34728
117 2ZV2 609 0.04958 0.40147 3.3557
118 5E5U MLI 0.02051 0.43185 3.40909
119 1MUU NAD 0.0000222 0.51399 3.4375
120 3NJ4 NAD 0.004727 0.42373 3.4375
121 1UWK URO 0.0005152 0.42345 3.4375
122 1UWK NAD 0.0005152 0.42345 3.4375
123 3NJ4 AFX 0.006872 0.41735 3.4375
124 2EG5 SAH 0.02752 0.40806 3.4375
125 4PIV NDP 0.007529 0.40289 3.4375
126 1VQW FAD 0.00000007571 0.51881 3.50109
127 1NV8 SAM 0.001792 0.42541 3.52113
128 1NV8 MEQ 0.007967 0.40189 3.52113
129 3VY6 BGC BGC 0.02394 0.408 3.5461
130 3VYW SAM 0.0007295 0.46481 3.57143
131 4YMJ 4EJ 0.03991 0.41498 3.61842
132 1KYQ NAD 0.000003036 0.59094 3.64964
133 3DXY SAM 0.004405 0.45217 3.66972
134 4RSL FAD 0.0000001593 0.55328 3.75
135 4REP FAD 0.0000001221 0.53701 3.75
136 1Y8Q ATP 0.00001669 0.52377 3.75
137 4MO2 FDA 0.000001215 0.51786 3.75
138 4MO2 FAD 0.000001119 0.51537 3.75
139 1CZA G6P 0.0068 0.44685 3.75
140 1F3L SAH 0.006438 0.41916 3.75
141 2FK8 SAM 0.008485 0.41678 3.77358
142 2RGO FAD 0.00000005506 0.56529 3.78913
143 1QCI ADE 0.02971 0.41327 3.81679
144 3GF4 FAD 0.000005695 0.43592 3.84615
145 3GF4 UPG 0.00000452 0.43021 3.84615
146 3EGI ADP 0.001524 0.49184 3.8835
147 4OBW SAM 0.00673 0.42778 3.89105
148 1YXM ADE 0.009276 0.44329 3.9604
149 2XVM SAH 0.002396 0.46108 4.0201
150 5HSA FAS 0.000000254 0.52415 4.0625
151 3DMH SAM 0.001003 0.45859 4.0625
152 1GQ2 NAP 0.0003448 0.45396 4.0625
153 5THY SAH 0.002888 0.43789 4.0625
154 4KRI SAH 0.005028 0.42704 4.0625
155 3DMH GMP 0.002344 0.42347 4.0625
156 1ORR NAD 0.001585 0.41713 4.0625
157 4UP4 GAL NAG 0.03797 0.4161 4.0625
158 4ONQ SFG 0.012 0.41598 4.0625
159 2ZWA SAH 0.01117 0.40854 4.0625
160 3WLE NAD 0.001177 0.41474 4.10557
161 2FR1 NDP 0.001497 0.42056 4.11523
162 3WV8 ATP 0.000004687 0.41843 4.12844
163 3U31 NAD 0.00479 0.42485 4.13793
164 4NEC SAH 0.004853 0.44182 4.16667
165 1KPG SAH 0.00377 0.42945 4.18118
166 1KPH SAH 0.003844 0.42908 4.18118
167 4FZV SAM 0.0169 0.40323 4.1841
168 2AHR NAP 0.004977 0.40296 4.2471
169 5MBX FAD 0.00000002209 0.58559 4.375
170 5MBX SP5 0.00000002209 0.58559 4.375
171 1E1M FAD 0.00000004541 0.57321 4.375
172 1E1M NAP 0.00000004541 0.57321 4.375
173 1CER NAD 0.00005496 0.49345 4.375
174 3B20 NAD 0.0001335 0.48527 4.375
175 2VHW NAI 0.0001004 0.45302 4.375
176 1NVM NAD 0.0002807 0.45122 4.375
177 3VSE SAH 0.008633 0.43726 4.375
178 5DN9 NAD 0.0007573 0.42915 4.375
179 4ISS TAR 0.02756 0.4207 4.375
180 5EE7 5MV 0.03561 0.41583 4.375
181 3CMC NAD 0.00582 0.40049 4.375
182 3O7W SAM 0.01082 0.42841 4.42177
183 3QWI NAP 0.002245 0.41386 4.44444
184 1NE7 AGP 0.02101 0.41397 4.49827
185 4CQM NAP 0.001949 0.42129 4.5977
186 1N2X SAM 0.01239 0.40385 4.65116
187 2F1K NAP 0.00002084 0.5108 4.6595
188 4IV9 FAD 0.0000001387 0.53884 4.6875
189 2D2I NAP 0.0001587 0.48608 4.6875
190 3L9W AMP 0.0001417 0.46269 4.6875
191 3L9W GSH 0.0003011 0.45631 4.6875
192 3LU1 NAD 0.0005565 0.44266 4.6875
193 1H5Q NAP 0.002803 0.4126 4.6875
194 1K3T BRZ 0.002225 0.41161 4.6875
195 4XQC 13D 0.0006078 0.40342 4.6875
196 2O4C NAD 0.0002517 0.40117 4.6875
197 2DUR MAN MAN 0.02771 0.4231 4.74308
198 1EX7 5GP 0.04063 0.41351 4.83871
199 5ULP KB1 0.006261 0.41396 4.85075
200 3AJ6 NGA 0.04722 0.40581 4.8951
201 5JE8 NAD 0.0003789 0.46236 4.96689
202 2BRY FAD 0.000000002982 0.63154 5
203 4TXI FAD 0.000000008961 0.61916 5
204 2RGJ FAD 0.000000007806 0.6159 5
205 2Y6Q I7T 0.0000001873 0.5435 5
206 2Y6Q FAD 0.00000000837 0.54252 5
207 4MIG G3F 0.0000005969 0.52872 5
208 1J49 NAD 0.000127 0.47125 5
209 3GFB NAD 0.0003209 0.45848 5
210 1YKJ PHB 0.0000004418 0.443 5
211 1YKJ FAD 0.0000004418 0.443 5
212 4HA6 FAD 0.001091 0.44123 5
213 1C0I FAD 0.004663 0.41892 5
214 1C0I BE2 0.004663 0.41892 5
215 2UZ1 TPP 0.00854 0.40559 5
216 1E5Q NDP 0.006181 0.40394 5
217 1JQ3 AAT 0.0002751 0.44562 5.06757
218 2VT3 ATP 0.00002354 0.56776 5.11628
219 2PXX SAH 0.001997 0.44872 5.11628
220 1GUZ NAD 0.0003113 0.45573 5.16129
221 1L3I SAH 0.001699 0.43504 5.20833
222 1FWV SGA MAG FUC 0.01779 0.44033 5.22388
223 3T7S SAM 0.005779 0.43089 5.22388
224 4DSU BZI 0.01811 0.43251 5.29101
225 1Q1R FAD 0.000000003088 0.60945 5.3125
226 4J36 FAD 0.00000001081 0.54585 5.3125
227 4J36 1HR 0.0000001318 0.54434 5.3125
228 1X87 NAD 0.00007323 0.50066 5.3125
229 4ZCC NAI 0.0000001352 0.49036 5.3125
230 4ZCC FAD 0.0000001352 0.49036 5.3125
231 2C7G FAD 0.0001891 0.4813 5.3125
232 2C7G ODP 0.0003794 0.46848 5.3125
233 4MOP 2H5 0.0000008325 0.46451 5.3125
234 3JV7 NAD 0.0005484 0.44291 5.3125
235 2I3G NAP 0.0008851 0.43195 5.3125
236 2CVQ NDP 0.001509 0.42839 5.3125
237 5KOK SAH 0.007741 0.42168 5.3125
238 2WPX ACO 0.02368 0.405 5.3125
239 1LDN NAD 0.0001012 0.41439 5.37975
240 3BGD SAH 0.003299 0.42887 5.38462
241 3BGD PM6 0.004854 0.41064 5.38462
242 3MMH SME 0.03393 0.41022 5.38922
243 1V9A SAH 0.01812 0.41382 5.43933
244 1GEG NAD 0.004811 0.40587 5.46875
245 2AOT SAH 0.004735 0.44234 5.47945
246 2BOY BHO 0.01422 0.42618 5.51181
247 3AYI FAD 0.00000008464 0.56236 5.625
248 3AYI HCI 0.00000009215 0.56236 5.625
249 5I39 FAD 0.00000007675 0.55587 5.625
250 4YNU FAD 0.0000001295 0.54612 5.625
251 4YNU LGC 0.0000002535 0.54169 5.625
252 1NAA 6FA 0.0000001532 0.52114 5.625
253 5G3U FDA 0.0000004587 0.51464 5.625
254 5G3U ITW 0.000001615 0.50846 5.625
255 1ELI PYC 0.000002109 0.49239 5.625
256 1NAA ABL 0.0000003484 0.47096 5.625
257 2JJQ SAH 0.003797 0.45112 5.625
258 4AP3 NAP 0.0000006003 0.44375 5.625
259 4AP3 FAD 0.0000006003 0.44375 5.625
260 4DMG SAM 0.007936 0.43913 5.625
261 4XDY NAI 0.00172 0.43182 5.625
262 3TLJ SAH 0.003162 0.42968 5.625
263 5X62 SAH 0.01855 0.41011 5.625
264 2CDC XYP 0.003655 0.4072 5.625
265 5HTX ADP 0.04058 0.4061 5.625
266 4K30 NLG 0.04862 0.40541 5.625
267 2CDC NAP 0.004721 0.40316 5.625
268 2CDC XYS 0.004721 0.40316 5.625
269 5GWX SAR 0.007948 0.40437 5.6338
270 5GWX SAM 0.007948 0.40437 5.6338
271 1GZ6 NAI 0.005019 0.40282 5.64263
272 1EZ4 NAD 0.0001687 0.47338 5.66038
273 2DT5 NAD 0.0001801 0.46521 5.6872
274 3GDH SAH 0.008758 0.40772 5.80913
275 3H2B SAH 0.002663 0.44299 5.91133
276 5TUK FAD 0.0000001241 0.59677 5.9375
277 2YG3 FAD 0.000000003867 0.59143 5.9375
278 5FJN BE2 0.00000001065 0.58501 5.9375
279 5FJN FAD 0.000000008038 0.58422 5.9375
280 1H82 FAD 0.00000001792 0.49728 5.9375
281 1H82 GZZ 0.00000002679 0.47401 5.9375
282 3GWZ SAH 0.009319 0.42797 5.9375
283 3GRU AMP 0.00023 0.47909 6.1017
284 2YVJ FAD 0.000000001752 0.58905 6.25
285 1E6E FAD 0.000000003018 0.57726 6.25
286 3NKS FAD 0.00000003082 0.57418 6.25
287 2JB2 FAD 0.00000001812 0.57315 6.25
288 2JB2 PHE 0.00000002391 0.56467 6.25
289 4RDH AMP 0.00001507 0.564 6.25
290 1PN0 IPH 0.0000001817 0.54672 6.25
291 1PN0 FAD 0.0000001659 0.54672 6.25
292 3GDN HBX 0.0000002497 0.54455 6.25
293 3GDN FAD 0.0000001206 0.54411 6.25
294 1WDK NAD 0.0000346 0.51479 6.25
295 1I8T FAD 0.000001267 0.50988 6.25
296 1BW9 NAD 0.0001065 0.49792 6.25
297 1C1X NAD 0.0001561 0.47477 6.25
298 2YVF FAD 0.000971 0.45639 6.25
299 2YVF NAD 0.001014 0.45639 6.25
300 2YVJ NAI 0.0000001314 0.43729 6.25
301 5JJR SAH 0.004656 0.43528 6.25
302 1C1X HFA 0.03793 0.40424 6.25
303 4WS6 WBU 0.009368 0.45043 6.30252
304 5XVK SAH 0.01363 0.40204 6.33803
305 5MGZ SAH 0.008648 0.41946 6.35593
306 2PV7 NAD 0.0002113 0.46584 6.37584
307 3OFK SAH 0.0009112 0.45673 6.48148
308 4USI AKG 0.02219 0.42982 6.49351
309 4D79 ATP 0.00002209 0.544 6.52174
310 4JDR FAD 0.0000000002067 0.62664 6.5625
311 3E1T FAD 0.000000001162 0.61468 6.5625
312 5WGR FAD 0.000000247 0.53036 6.5625
313 2IID FAD 0.00000003135 0.49433 6.5625
314 2IID PHE 0.00000003135 0.49433 6.5625
315 4LWP SAH 0.0003264 0.48931 6.5625
316 5M67 3D1 0.000423 0.42938 6.5625
317 5M67 ADE 0.0004392 0.42881 6.5625
318 5M67 NAD 0.0004583 0.42817 6.5625
319 2DKH FAD 0.001546 0.42413 6.5625
320 2DKH 3HB 0.003116 0.41978 6.5625
321 3HDY FAD 0.000006218 0.41794 6.5625
322 3HDY FDA 0.000006633 0.41737 6.5625
323 3HDY GDU 0.00000719 0.41356 6.5625
324 4B1X ATP 0.01639 0.40383 6.5625
325 4BQS ADP 0.04544 0.4108 6.81818
326 1O5I NAD 0.005821 0.42738 6.82731
327 1ZEM NAD 0.0004551 0.45562 6.87023
328 5BUK FAD 0.000000001321 0.61454 6.875
329 1QO8 FAD 0.00000000241 0.60205 6.875
330 2CDU FAD 0.0000000008211 0.5955 6.875
331 2IVD FAD 0.00000001359 0.59156 6.875
332 5KMS FAD 0.00000002394 0.58275 6.875
333 5TUF FAD 0.00000009025 0.58102 6.875
334 5TS5 FAD 0.00000001961 0.56125 6.875
335 1N4W FAD 0.0000002949 0.53237 6.875
336 1COY FAD 0.000000297 0.52272 6.875
337 3NYC IAR 0.00000004661 0.50251 6.875
338 3NYC FAD 0.00000004661 0.50251 6.875
339 3V1Y NAD 0.00005095 0.4948 6.875
340 3FPZ AHZ 0.0003629 0.48421 6.875
341 1COY AND 0.000001585 0.4461 6.875
342 4U8P FDA 0.00000008069 0.4455 6.875
343 5KMS NAD 0.0000009437 0.4449 6.875
344 2CDU ADP 0.00000003224 0.44396 6.875
345 4U8P UDP 0.00000009379 0.43854 6.875
346 5TUF TDC 0.000001198 0.438 6.875
347 2B4R NAD 0.00003782 0.4278 6.875
348 5TE1 7A2 0.02487 0.42121 6.875
349 2B4R AES 0.0001261 0.40886 6.875
350 1NVT NAP 0.0003165 0.46928 6.96864
351 3BFV ADP 0.03349 0.40704 7.01107
352 1VM6 NAD 0.003602 0.42134 7.01754
353 4YCA NDP 0.00007595 0.48766 7.14286
354 3GPO APR 0.01231 0.40139 7.14286
355 3AD8 NAD 0.0000000003392 0.66075 7.1875
356 4CNK FAD 0.0000000005079 0.6116 7.1875
357 1KNR FAD 0.00000003251 0.56015 7.1875
358 5EZ7 FAD 0.00000007472 0.55205 7.1875
359 4RPL FAD 0.000001391 0.53038 7.1875
360 4RPL 3UC 0.000003494 0.51868 7.1875
361 3WE0 FAD 0.0002256 0.4674 7.1875
362 3AD8 PYC 0.0000003827 0.4326 7.1875
363 3AD8 FAD 0.0000003827 0.4326 7.1875
364 1QMG APX 0.004093 0.4248 7.1875
365 2DC1 NAD 0.00149 0.43145 7.20339
366 2EV9 SKM 0.0004443 0.44063 7.22433
367 2EV9 NAP 0.0004443 0.44063 7.22433
368 1L1E SAH 0.007491 0.41922 7.31707
369 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.03012 0.40942 7.31707
370 2NUO BGC 0.008632 0.45009 7.37705
371 3IHG FAD 0.000000003405 0.65352 7.5
372 5BVA FAD 0.000000001237 0.57989 7.5
373 2VVM FAD 0.00000002122 0.56642 7.5
374 2VVL FAD 0.00000002111 0.56017 7.5
375 4C3Y FAD 0.000001265 0.50786 7.5
376 4C3Y ANB 0.00000357 0.49919 7.5
377 2CVZ NDP 0.002864 0.42268 7.61246
378 3HAD NAD 0.0009717 0.41679 7.79221
379 3G5S FAD 0.000000001655 0.58999 7.8125
380 5BR7 FAD 0.000001559 0.43132 7.8125
381 5BR7 FLC 0.000002289 0.42649 7.8125
382 1T9D P22 0.03929 0.41432 7.8125
383 2DBZ NAP 0.003773 0.41251 7.8125
384 2BKX F6R 0.01354 0.42355 7.85124
385 5OFW 9TW 0.007043 0.45916 8.07175
386 5FA8 SAM 0.01434 0.40107 8.07453
387 3OZ2 FAD 0.000000003923 0.59122 8.125
388 4OPC PGT 0.0000002953 0.58329 8.125
389 4OPC FDA 0.0000002241 0.58293 8.125
390 2Q1W NAD 0.0001419 0.45639 8.125
391 1D1T NAD 0.0009143 0.42871 8.125
392 2P39 SCR 0.04957 0.40017 8.3871
393 4TM3 FAD 0.00000209 0.52774 8.4375
394 4HXY NDP 0.0004397 0.44369 8.44749
395 4YSX FAD 0.00000001364 0.57291 8.51064
396 5DXA SFG 0.002272 0.43591 8.75
397 4D04 NAP 0.0000008519 0.4341 8.75
398 4D04 FAD 0.0000008519 0.4341 8.75
399 3OND NAD 0.0004494 0.4275 8.75
400 3OND ADN 0.0004494 0.4275 8.75
401 5DX8 SFG 0.008411 0.41119 8.75
402 2YY8 MTA 0.02621 0.41254 8.95522
403 4EIP FAD 0.0000004138 0.49158 9.0625
404 4EIP K2C 0.0000004138 0.49158 9.0625
405 4EUE NAI 0.0006345 0.43474 9.0625
406 1SW1 PBE 0.04163 0.41413 9.09091
407 3ORF NAD 0.003091 0.41596 9.16335
408 1WY7 SAH 0.01034 0.41289 9.17874
409 5N53 8NB 0.003277 0.4762 9.23077
410 5ODQ FAD 0.000000001771 0.58921 9.23913
411 2E5V FAD 0.000000001372 0.61221 9.375
412 2HK9 ATR 0.00002439 0.57414 9.45455
413 2HK9 NAP 0.0002393 0.46712 9.45455
414 2GMH FAD 0.000000002889 0.58866 9.6875
415 1GY8 NAD 0.0003884 0.40082 9.6875
416 1X14 NAD 0.00006258 0.52824 9.72569
417 1DJN ADP 0.000000001006 0.71164 10
418 1O94 ADP 0.0000000003872 0.53844 10
419 3JQA NAP 0.003571 0.41605 10.0694
420 4CMI NAP 0.003102 0.4159 10.0694
421 3JQB NAP 0.003783 0.41503 10.0694
422 3JQG NAP 0.004214 0.41313 10.0694
423 3JQ8 NAP 0.003223 0.41271 10.0694
424 3BMQ NAP 0.003326 0.41217 10.0694
425 3BMN NAP 0.003375 0.41193 10.0694
426 4CM4 NAP 0.003929 0.4118 10.0694
427 4CM8 NAP 0.004085 0.41113 10.0694
428 3JQF NAP 0.003555 0.41104 10.0694
429 4CLO NAP 0.007873 0.4021 10.0694
430 4EMI NAD 0.00000001755 0.59554 10.3125
431 4EMI FAD 0.000000001725 0.59404 10.3125
432 1D4D FAD 0.00000003504 0.56404 10.3125
433 1Q9I TEO 0.00000002567 0.48955 10.3125
434 1Q9I FAD 0.00000002567 0.48955 10.3125
435 3L4S NAD 0.0008489 0.42994 10.3125
436 3L4S 3PG 0.001045 0.42392 10.3125
437 3ZBQ GDP 0.01594 0.4072 10.3125
438 2DFV NAD 0.00008396 0.40525 10.3125
439 1PNO NAP 0.005146 0.40472 10.5556
440 3KLJ FAD 0.00000000008319 0.60994 10.625
441 3NT6 FAD 0.00000000282 0.60578 10.625
442 3NTA FAD 0.000000008294 0.58949 10.625
443 3ABI NAD 0.0002036 0.4598 10.625
444 2VHL GLP 0.0393 0.41045 10.625
445 1LK7 DER 0.03225 0.40789 10.917
446 2OOR NAD 0.0007271 0.46106 10.9195
447 2OOR TXP 0.006533 0.40539 10.9195
448 2ZXI FAD 0.000000007034 0.59683 10.9375
449 1ZBQ NAD 0.001559 0.41989 10.9375
450 3NTD FAD 0.000000006881 0.57468 11.25
451 5UAV TFB 0.0003013 0.41571 11.25
452 5UAV NDP 0.0003013 0.41571 11.25
453 2YCH ATP 0.01597 0.40164 11.25
454 3NUG NAD 0.001336 0.42504 11.336
455 1I36 NAP 0.00128 0.4502 11.3636
456 3QJ4 FAD 0.00000004592 0.56363 11.5625
457 3G89 SAM 0.0009908 0.48018 11.6466
458 1TPY SAH 0.005011 0.42398 11.8467
459 3KB6 NAD 0.003346 0.4172 11.875
460 1F9A ATP 0.008378 0.4201 11.9048
461 4EMJ FAD 0.000000002635 0.60188 12.1495
462 4ZRN NAD 0.0005239 0.43247 12.1795
463 1MV8 NAD 0.00003544 0.5013 12.1875
464 1GTE FAD 0.000000006784 0.4913 12.1875
465 5JCM FAD 0.0000000184 0.59838 12.5
466 5JCM ISD 0.0000000198 0.59838 12.5
467 5JCM NAD 0.0000000198 0.59838 12.5
468 1V59 NAD 0.000000009811 0.73964 12.8125
469 1V59 FAD 0.00000000004931 0.61736 12.8125
470 5MZI FAD 0.0000002808 0.45471 12.8125
471 5MZI FYK 0.0000002828 0.45151 12.8125
472 3EGV SAH 0.002683 0.45034 12.9252
473 5GZ6 NDP 0.0006709 0.46645 13.4375
474 5GZ6 7C3 0.001301 0.44643 13.4375
475 5EB4 FAD 0.0000001033 0.54317 13.75
476 1V8B NAD 0.0002045 0.42085 14.375
477 3QV1 NAD 0.00002549 0.41314 14.6341
478 1JNR FAD 0.000000003986 0.63274 14.6667
479 1CDO NAD 0.001381 0.43575 14.6875
480 1W73 NAP 0.008221 0.4089 14.9007
481 1W6U NAP 0.01269 0.40082 14.9007
482 1PS9 FAD 0.0000000006481 0.61961 15
483 1Z82 NDP 0.00522 0.40935 15.5224
484 4QTU SAM 0.000805 0.46684 15.5556
485 4J56 FAD 0.00000000006326 0.65989 15.7895
486 3UCL FAD 0.000002734 0.5207 15.9375
487 3UCL NAP 0.000003257 0.5207 15.9375
488 3UCL CYH 0.000002734 0.5207 15.9375
489 3LAD FAD 0.0000000003075 0.61371 16.25
490 5L95 AMP 0.0000465 0.52364 17.5
491 3FG2 FAD 0.0000000005611 0.65871 19.5545
492 2PZM NAD 0.0007802 0.41521 19.697
493 2PZM UDP 0.0007802 0.41521 19.697
494 1FEC FAD 0.0000000005213 0.63194 23.4375
495 1GET FAD 0.0000000003763 0.66215 23.75
496 1GET NAP 0.0000000004411 0.66215 23.75
497 2WPF WPF 0.000000006807 0.64186 24.6875
498 2WPF FAD 0.000000007671 0.63735 24.6875
499 2NPX FAD 0.000000004718 0.60295 24.6875
500 2NPX NAD 0.0000000367 0.48193 24.6875
501 1BZL FAD 0.00000001679 0.40688 24.6875
502 1YQZ FAD 0.00000001702 0.59478 25.625
503 2HQM FAD 0.0000000001396 0.64424 25.9375
504 2A8X FAD 0.0000000003048 0.6069 26.9397
505 4M52 FAD 0.0000000000851 0.65157 27.2532
506 3QFA FAD 0.0000000001366 0.62531 27.5
507 1MO9 FAD 0.000000003325 0.44744 28.75
508 1MO9 KPC 0.000000003265 0.44626 28.75
509 2J9D AMP 0.02523 0.40367 29.4118
510 2J9D ADP 0.01472 0.40321 29.4118
511 4USQ FAD 0.00006097 0.47724 33.125
512 2F5Z FAD 0.00000000014 0.64614 36.25
513 3RNM FAD 0.0000000001221 0.61958 36.25
514 1ZMD FAD 0.0000000001293 0.61866 36.25
515 1ZMD NAI 0.0000003607 0.58897 36.25
516 3LZW FAD 0.0001317 0.47031 38.125
517 3LZW NAP 0.0003959 0.47031 38.125
518 5JCA FAD 0.0000000003122 0.63232 40
519 5JCA NDP 0.000000001914 0.63141 40
520 5FA5 MTA 0.002279 0.45783 40
521 4USR FAD 0.00000001291 0.60771 40.3125
522 4NTC FAD 0.0000000001087 0.63598 40.9375
523 4JNA FAD 0.0000000001229 0.62671 42.1875
524 3AB1 FAD 0.0000000005636 0.61972 42.1875
525 5U8U FAD 0.000000001432 0.49372 42.1875
Pocket No.: 2; Query (leader) PDB : 5J60; Ligand: FAD; 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: 5j60.bio2) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5J60; Ligand: FAD; 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: 5j60.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5J60; Ligand: FAD; 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: 5j60.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5J60; Ligand: FAD; 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: 5j60.bio3) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5J60; Ligand: FAD; 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: 5j60.bio3) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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