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Receptor
PDB id Resolution Class Description Source Keywords
6FP4 2.5 Å EC: 1.6.4.5 THIOREDOXIN GLUTATHIONE REDUCTASE FROM SCHISTOSOMA MANSONI I WITH 1,8-NAPHTHYRIDINE-2-CARBOXYLIC ACID SCHISTOSOMA MANSONI FRAGMENT ALLOSTERIC POCKET SCHISTOSOMIASIS FAD/NAD LINKEDREDUCTASE FLAVOPROTEIN
Ref.: FRAGMENT-BASED DISCOVERY OF A REGULATORY SITE IN TH GLUTATHIONE REDUCTASE ACTING AS "DOORSTOP" FOR NADP ACS CHEM. BIOL. V. 13 2190 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
E1T A:604;
Valid;
none;
ic50 = 1.1 mM
174.156 C9 H6 N2 O2 c1cc2...
PGE A:602;
A:603;
Invalid;
Invalid;
none;
none;
submit data
150.173 C6 H14 O4 C(COC...
FAD A:601;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
250 A:606;
Invalid;
none;
submit data
268.331 C9 H20 N2 O5 S C1CN(...
NA A:605;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FP4 2.5 Å EC: 1.6.4.5 THIOREDOXIN GLUTATHIONE REDUCTASE FROM SCHISTOSOMA MANSONI I WITH 1,8-NAPHTHYRIDINE-2-CARBOXYLIC ACID SCHISTOSOMA MANSONI FRAGMENT ALLOSTERIC POCKET SCHISTOSOMIASIS FAD/NAD LINKEDREDUCTASE FLAVOPROTEIN
Ref.: FRAGMENT-BASED DISCOVERY OF A REGULATORY SITE IN TH GLUTATHIONE REDUCTASE ACTING AS "DOORSTOP" FOR NADP ACS CHEM. BIOL. V. 13 2190 2018
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2X8G - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 6FMZ - DVQ C8 H18 N2 O2 C1CN(CCN1C....
3 6FMU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 2V6O - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2X99 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 6FTC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 2X8H - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 6FP4 ic50 = 1.1 mM E1T C9 H6 N2 O2 c1cc2ccc(n....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2X8G - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 6FMZ - DVQ C8 H18 N2 O2 C1CN(CCN1C....
3 6FMU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 2V6O - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2X99 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 6FTC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 2X8H - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 6FP4 ic50 = 1.1 mM E1T C9 H6 N2 O2 c1cc2ccc(n....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3SQP ic50 = 7 uM 3J8 C13 H10 N2 O CN1c2ccccc....
2 4GR1 - RGS C20 H32 N6 O12 S2 C(CNC(=O)[....
3 1K4Q - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 1DNC - GSH C10 H17 N3 O6 S C(CC(=O)N[....
5 3GRT - TS2 C27 H47 N9 O10 S2 C1CCNC(=O)....
6 2NVK - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 1BZL - GCG C27 H49 N9 O10 S2 C(CCNC(=O)....
8 2X8G - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 6FMZ - DVQ C8 H18 N2 O2 C1CN(CCN1C....
10 6FMU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 2V6O - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 2X99 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 6FTC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 2X8H - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 6FP4 ic50 = 1.1 mM E1T C9 H6 N2 O2 c1cc2ccc(n....
16 1FEB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: E1T; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 E1T 1 1
Ligand no: 2; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FP4; Ligand: FAD; Similar sites found with APoc: 974
This union binding pocket(no: 1) in the query (biounit: 6fp4.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 1ONI BEZ None
2 2O4C NAD 1.05263
3 1X87 NAD 1.08893
4 4BJZ FAD 1.17925
5 4BJZ P3A 1.17925
6 1VJT NAD 1.24224
7 4KVL PLM 1.33779
8 2JHP SAH 1.33779
9 5F8F SFG 1.33779
10 5DNC ASN 1.36054
11 5EVY FAD 1.36986
12 1UP7 NAD 1.43885
13 5FUB SAH 1.48368
14 5JJR SAH 1.50502
15 6A0S HSE 1.50602
16 6A0S NDP 1.50602
17 1GPM CIT 1.52381
18 1GPE FAD 1.53322
19 5FJN FAD 1.53509
20 5FJN BE2 1.53509
21 3NYC IAR 1.5748
22 3NYC FAD 1.5748
23 3DMH SAM 1.5748
24 2AWN ADP 1.5748
25 3DMH GMP 1.5748
26 2EJU SAH 1.5873
27 4DCM SAM 1.6
28 3ULK NDP 1.62933
29 1GZ4 ATP 1.63339
30 3QOX SAH 1.64319
31 4D04 NAP 1.66052
32 4D04 FAD 1.66052
33 1KC7 PPR 1.67224
34 2HIM ASN 1.67598
35 5HJM MTA 1.70455
36 2I3G NAP 1.70455
37 3V1U NAD 1.7316
38 1L1E SAH 1.74216
39 4HA6 FAD 1.77165
40 1I9G SAM 1.78571
41 1V6A TRE 1.80723
42 1O0S NAI 1.83946
43 4RPL 3UC 1.83946
44 4RPL FAD 1.83946
45 1KAE NAD 1.84332
46 4KRI SAH 1.84758
47 4K5S FAD 1.86567
48 4K5S PM0 1.86567
49 6F97 FAD 1.88324
50 3NKS FAD 1.88679
51 4OBW SAM 1.94553
52 1EBF NAD 1.95531
53 3SLS ANP 1.97368
54 5JE8 NAD 1.98676
55 6ER9 FAD 2.00364
56 6ER9 NAP 2.00364
57 2DKH FAD 2.00669
58 2DKH 3HB 2.00669
59 5HSA FAS 2.00669
60 3G2O SAM 2.00669
61 4RSL FAD 2.02247
62 1QAN SAH 2.04918
63 1IM8 SAI 2.04918
64 4ZGS NAD 2.07254
65 1V8B NAD 2.08768
66 3C6K SPD 2.09974
67 3C6K MTA 2.09974
68 2Q1W NAD 2.1021
69 5Z75 NAD 2.14067
70 2F1K NAP 2.15054
71 1E1M FAD 2.17391
72 1E1M NAP 2.17391
73 3UCL NAP 2.17391
74 3UCL CYH 2.17391
75 3UCL FAD 2.17391
76 4C4A SAH 2.17391
77 1OMO NAD 2.17391
78 4CP8 MLI 2.17391
79 6BII NAP 2.17391
80 5X7Q GLC GLC 2.17391
81 5GWT NAD 2.17391
82 1VM6 NAD 2.19298
83 2R4J FAD 2.19561
84 2R4J 13P 2.19561
85 2QA1 FAD 2.2
86 3UOY NAP 2.20183
87 3UOY FAD 2.20183
88 5Z21 NAI 2.23464
89 3K6V CIT 2.25989
90 3VSE SAH 2.26131
91 2QQF A1R 2.27273
92 1R37 NAD 2.30548
93 2IVD FAD 2.34114
94 1RSG FAD 2.34114
95 2RGO FAD 2.34114
96 1I8T FAD 2.34114
97 4XFR CIT 2.34192
98 2B9W FAD 2.35849
99 1XTP SAI 2.3622
100 1VRP ADP 2.3622
101 5U5G NAP 2.37288
102 3S5W NAP 2.37581
103 3S5W FAD 2.37581
104 6CEP NAD 2.39521
105 6CEP OXM 2.39521
106 4MDH NAD 2.39521
107 3I7S PYR 2.39726
108 4KOA NDP 2.4024
109 1CDO NAD 2.40642
110 1O5I NAD 2.40964
111 3GEG NAD 2.42915
112 1B8U NAD 2.43161
113 5I3B HQE 2.43902
114 4LWP SAH 2.44565
115 1WG8 SAM 2.45614
116 3LU1 NAD 2.47253
117 1QMG APX 2.48092
118 2Q28 ADP 2.48227
119 2RGJ FAD 2.48756
120 6F7L FAD 2.48869
121 4U60 SIA 2.5
122 4U60 SIA GAL NGA 2.5
123 4CJX NAP 2.50784
124 5WGR FAD 2.50836
125 5WP5 SAH 2.50836
126 5WP4 SAH 2.50836
127 3OJO NAD 2.50836
128 1KOL NAD 2.51256
129 1BW9 NAD 2.52809
130 1BXG NAD 2.52809
131 1BW9 PPY 2.52809
132 5NC1 NAG 2.53165
133 1C1X NAD 2.53521
134 1C1X HFA 2.53521
135 2VAR ANP 2.55591
136 2VAR AMP 2.55591
137 5X20 NAD 2.5641
138 4ZRN NAD 2.5641
139 3QVP FAD 2.5729
140 5DWQ SFG 2.5788
141 5DXA SFG 2.5788
142 5DX8 SFG 2.5788
143 5DX0 SFG 2.5788
144 5DX1 SFG 2.5788
145 4W6Z 8ID 2.59366
146 4JJF FE9 2.61628
147 1VL8 NAP 2.62172
148 1Q9I FAD 2.62697
149 1Q9I TEO 2.62697
150 3QJ4 FAD 2.63158
151 2D2I NAP 2.63158
152 4EUE NAI 2.63158
153 1Y1P NMN AMP PO4 2.63158
154 1LJ8 NAD 2.63692
155 1M2W NAD 2.63692
156 5A1T NAI 2.6393
157 5A1T OXM 2.6393
158 1W73 NAP 2.64901
159 1W8D NAP 2.64901
160 1E3I CXF 2.65957
161 2QV7 ADP 2.67062
162 3AYI HCI 2.67559
163 3AYI FAD 2.67559
164 4MIG G3F 2.67559
165 5Z20 NAI 2.67559
166 1CZA G6P 2.67559
167 4KRG SAH 2.67559
168 6A3J NAI 2.68293
169 3A1I UNU 2.68714
170 5BVA FAD 2.68949
171 3KB6 NAD 2.69461
172 4JK3 NAD 2.7027
173 4ZEV M6P 2.7027
174 9LDT NAD 2.71084
175 9LDB NAD 2.71084
176 4ZVV NAD 2.71084
177 4ZVV GN0 2.71084
178 3QH2 3NM 2.71493
179 1LC3 NAD 2.72109
180 3O7W SAM 2.72109
181 1YY5 FAD 2.72904
182 1LDM NAD 2.73556
183 3KL3 GCU 2.74314
184 3MB5 SAM 2.7451
185 3NJ4 NAD 2.75862
186 1U2Z SAH 2.77136
187 1KNR FAD 2.77778
188 3OFK SAH 2.77778
189 1TPY SAH 2.78746
190 4J1Q NDP 2.80172
191 5EB4 FAD 2.81955
192 5EES NAP 2.83401
193 1VQW FAD 2.84281
194 3E1T FAD 2.84281
195 1PN0 FAD 2.84281
196 1PN0 IPH 2.84281
197 3X0D SAH 2.84281
198 3GF4 UPG 2.84281
199 3GF4 FAD 2.84281
200 4MOP 2H5 2.84281
201 3GFB NAD 2.85714
202 2BGM NAJ 2.8777
203 1RYI GOA 2.87958
204 1RYI FAD 2.87958
205 2DFV NAD 2.88184
206 1ORR NAD 2.88184
207 1GQ2 NAP 2.88288
208 6EL3 NAP 2.88714
209 3O26 NDP 2.89389
210 5BRT CH9 2.90102
211 5BRT FAD 2.90102
212 4M37 SAH 2.91545
213 5O4J 9KH 2.91971
214 5O4J PJL 2.91971
215 5O4J SAH 2.91971
216 3VYW SAM 2.92208
217 5T96 79J 2.92398
218 4R5M NAP 2.92553
219 4GFD 0YB 2.92683
220 5U19 SAH 2.93255
221 5U19 827 2.93255
222 5THQ NDP 2.94118
223 1D1T NAD 2.94906
224 3B20 NAD 2.94985
225 3B1J NAD 2.94985
226 4OOE NDP 2.9703
227 4ZCC FAD 2.97619
228 4ZCC NAI 2.97619
229 3K5I AIR 2.97767
230 1MUU NAD 2.98165
231 1MV8 NAD 2.98165
232 5EHS 5OY 2.98507
233 5EHS 2JJ 2.98507
234 2BQP GLC 2.99145
235 1J49 NAD 3.003
236 4U8P UDP 3.01003
237 4U8P FDA 3.01003
238 5UAO FAD 3.01003
239 1Y8Q ATP 3.01003
240 3Q3C NAD 3.01003
241 1P0F NAP 3.01003
242 2IID PHE 3.01205
243 2IID FAD 3.01205
244 3I53 SAH 3.01205
245 2F7A CCU 3.01724
246 1JQ3 AAT 3.04054
247 3ESS 18N 3.04348
248 2CVQ NDP 3.0581
249 2C7G FAD 3.07018
250 2C7G ODP 3.07018
251 5ZI9 FLC 3.07692
252 3BGD SAH 3.07692
253 1REO FAD 3.08642
254 3A28 NAD 3.10078
255 4NAE 1GP 3.11111
256 3TN7 NJP 3.11284
257 2PK3 A2R 3.11526
258 3LKZ SFG 3.11526
259 4RDH AMP 3.125
260 4RDI ATP 3.125
261 3DCM SAM 3.125
262 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 3.125
263 2WET FAD 3.13112
264 6HKE MLT 3.14465
265 6HKE LMR 3.14465
266 2AQJ FAD 3.15985
267 2AQJ TRP 3.15985
268 1V84 GAL NDG 3.16206
269 3TKA SAM 3.17003
270 1GTE FAD 3.17726
271 1PJS NAD 3.17726
272 1P77 ATR 3.17726
273 3ORF NAD 3.18725
274 5X62 SAH 3.20197
275 5KKA 6V0 3.20513
276 1XG5 NAP 3.22581
277 4URF NAD 3.22581
278 4K37 SAM 3.24324
279 5DNK SAH 3.2491
280 3TD3 GLY 3.25203
281 3GWZ SAH 3.25203
282 4D79 ATP 3.26087
283 1CF2 NAP 3.2641
284 2Y6Q I7T 3.26633
285 2Y6Q FAD 3.26633
286 4EIP FAD 3.27869
287 4EIP K2C 3.27869
288 1KYQ NAD 3.28467
289 6FDF SAH 3.29341
290 2V6G NAP 3.2967
291 6F9Q NAD 3.30882
292 3LM9 ADP 3.31126
293 1J0X NAD 3.31325
294 2VYN NAD 3.32326
295 1CER NAD 3.32326
296 2RGH FAD 3.3275
297 1GAD NAD 3.33333
298 4ITU NAI 3.34572
299 6AIN FAD 3.34928
300 3WMX NAD 3.35196
301 4KIB SAH 3.36134
302 5BW4 SAM 3.37079
303 5GZ6 NDP 3.37423
304 2CBZ ATP 3.37553
305 3K56 IS3 3.38346
306 3EGI ADP 3.39806
307 6B92 SAH 3.40136
308 1JG3 ADN 3.40426
309 1XCL SAH 3.40426
310 1I36 NAP 3.40909
311 4TXI FAD 3.41463
312 5TCI MLI 3.41463
313 4AF0 MOA 3.41727
314 3CBG SAH 3.44828
315 5HS2 CTP 3.44828
316 3A06 NDP 3.45745
317 4AP3 FAD 3.46084
318 4AP3 NAP 3.46084
319 3H9E NAD 3.46821
320 6GNA FAD 3.47222
321 6DNT NAD 3.48837
322 2EG5 SAH 3.49462
323 2Q89 6CS 3.50195
324 3GGO NAI 3.50318
325 3IHG FAD 3.51171
326 5TS5 FAD 3.5124
327 1R18 SAH 3.52423
328 5E9W SAH 3.52564
329 5ZBC FAD 3.54767
330 5ZW3 SAH 3.55556
331 1HYH NAD 3.55987
332 1KYZ SAH 3.56164
333 5A1S FLC 3.57143
334 1PS9 FAD 3.57675
335 1PS9 NAP 3.57675
336 1KJ8 GAR 3.58056
337 5XVH NAP 3.59477
338 1DSS NAD 3.6036
339 2IXB NAD 3.6036
340 3BAZ NAP 3.6036
341 3WBF NAP 3.60656
342 3CIF NAD 3.62117
343 4FZV SAM 3.62117
344 3CIF G3H 3.62117
345 1WVG APR 3.62117
346 6BQ6 TER 3.62538
347 1YXM ADE 3.63036
348 3WV8 ATP 3.66972
349 5E4R NAP 3.67347
350 1COY AND 3.67893
351 1COY FAD 3.67893
352 2PWY SAH 3.67893
353 1HKU NAD 3.67893
354 4Z24 FAD 3.68098
355 1X7D NAD 3.71429
356 1X7D ORN 3.71429
357 2D3S TNR 3.71901
358 2UZ1 TPP 3.73002
359 4YT4 FE9 3.73333
360 1XDS SAM 3.74332
361 2GMH FAD 3.76712
362 3HDY FDA 3.77834
363 3HDY FAD 3.77834
364 3HDY GDU 3.77834
365 5KOK SAH 3.77834
366 5G3U FDA 3.78251
367 5G3U ITW 3.78251
368 6C4N NAP 3.78619
369 2YYY NAP 3.79009
370 4MO2 FAD 3.80435
371 4MO2 FDA 3.80435
372 1Y63 ADP 3.80435
373 3Q9T FAY 3.81282
374 5BJX NAD 3.82514
375 5BJX UDP 3.82514
376 3ABI NAD 3.83562
377 5JWC FAD 3.83877
378 5I34 GDP 3.84615
379 2YY7 NAD 3.84615
380 1G60 SAM 3.84615
381 4P83 U5P 3.84615
382 5W7M SAH 3.84615
383 1Q0S SAH 3.861
384 1WY7 SAH 3.86473
385 5A7V BMA 3.86598
386 5A7V MAN 3.86598
387 3L4S NAD 3.86905
388 3L4S 3PG 3.86905
389 3VPH NAD 3.87097
390 3VPH OXM 3.87097
391 4RP9 ASC 3.87097
392 1SAY PYR 3.87812
393 5N2I NAP 3.87931
394 4XB2 NDP 3.8806
395 4XB2 HSE 3.8806
396 4Z0H NAD 3.89222
397 5OC1 FAD 3.89381
398 2G5C NAD 3.91459
399 2DKN NAI 3.92157
400 4DSG FAD 3.92562
401 4DSG UDP 3.92562
402 5THY SAH 3.95062
403 6GFK SAH 3.98406
404 1RRC ADP 3.98671
405 4O0L NDP 4
406 2CFC NAD 4
407 5UR0 NAD 4.01146
408 2Z9I GLY ALA THR VAL 4.01235
409 5YB7 ORN 4.01338
410 5YB7 FAD 4.01338
411 6H3O FAD 4.01338
412 1P1C SAH 4.0201
413 1D4D FAD 4.02098
414 3TLJ SAH 4.02145
415 3GDN HBX 4.03071
416 3GDN FAD 4.03071
417 3WGT QSC 4.03458
418 3WGT FAD 4.03458
419 5UAV TFB 4.03727
420 5UAV NDP 4.03727
421 2B4R AES 4.05797
422 2B4R NAD 4.05797
423 3T7S SAM 4.10448
424 2GZM DGL 4.11985
425 6E8I PTR 4.14201
426 3GDH SAH 4.14938
427 1NE7 16G 4.15225
428 3V1Y NAD 4.1543
429 4L8V NAP 4.1543
430 1N5D NDP 4.16667
431 3K7M FAD 4.17633
432 4BVA NDP 4.1791
433 2AOT SAH 4.1806
434 1KPG SAH 4.18118
435 2VT3 ATP 4.18605
436 2PXX SAH 4.18605
437 4OM8 NAD 4.20712
438 5YAP 8S0 4.21053
439 5YAP NAI 4.21053
440 1PL6 NAD 4.21348
441 1PL6 572 4.21348
442 4ZDM GLY 4.21456
443 4CQM NAP 4.21456
444 6C4T NA7 4.22222
445 2BRY FAD 4.22535
446 1YS4 NAP 4.23729
447 5ZYN FAD 4.24628
448 1KEV NDP 4.2735
449 5TTJ FAD 4.28571
450 4TSK NDP 4.28571
451 1O6Z NAD 4.29043
452 2JK0 ASP 4.30769
453 3U31 NAD 4.34783
454 5OJL TXP 4.36242
455 3WLE NAD 4.39883
456 1M2K APR 4.41767
457 1NYT NAP 4.42804
458 4XDY NAI 4.43787
459 5BUK FAD 4.44444
460 2VVL FAD 4.44444
461 2VVM FAD 4.44444
462 4GKV NAD 4.46429
463 5OCM NAP 4.46735
464 2XWL CTP 4.4843
465 5W7K SAH 4.48718
466 2ZXI FAD 4.51505
467 4ISS TAR 4.51505
468 2UYQ SAM 4.51613
469 5NUF NAD 4.51807
470 5NUE NAD 4.51807
471 1H5Q NAP 4.5283
472 1KPH SAH 4.52962
473 4NEC SAH 4.54545
474 2FLI DX5 4.54545
475 2DPM SAM 4.57746
476 4NBT NAD 4.58333
477 1QO8 FAD 4.59364
478 4E13 NAD 4.59364
479 3L9W AMP 4.60048
480 3L9W GSH 4.60048
481 3ZNN FAD 4.61095
482 3ZNN 4WL 4.61095
483 2CDC NAP 4.64481
484 2CDC XYS 4.64481
485 2CDC XYP 4.64481
486 3AFN NAP 4.65116
487 2DC1 NAD 4.66102
488 5N6C NAD 4.66667
489 4IV9 FAD 4.66786
490 1C0I FAD 4.6832
491 1C0I BE2 4.6832
492 5YSS NAD 4.6875
493 1GZ6 NAI 4.70219
494 4USQ FAD 4.70914
495 1DLJ NAI 4.72637
496 1DLJ UGA 4.72637
497 5LJI FMN 4.72973
498 1DL5 SAH 4.73186
499 2ZUX RAM 4.73773
500 3G5S FAD 4.74041
501 3A4T SFG 4.74453
502 5ME4 HP4 4.74453
503 3HGM ATP 4.7619
504 3SSO SAH 4.77327
505 5HV7 RBL 4.81651
506 4PVR ASP 4.83871
507 4H2D FMN 4.84848
508 1YKJ PHB 4.8495
509 1YKJ FAD 4.8495
510 3PT9 SAH 4.8495
511 5AYV NAP 4.85437
512 5AYV KPL 4.85437
513 2YG3 FAD 4.85651
514 5Y77 FAD 4.86258
515 2VDV SAM 4.87805
516 1SQF SAM 4.8951
517 5G4L NDP 4.8951
518 5YU3 NAD 4.94186
519 5YU3 PRO 4.94186
520 2AG8 NAP 4.94297
521 3KO0 TFP 4.9505
522 1YJQ NAP 4.9505
523 1EJ0 SAM 5
524 1H2B NAJ 5.01393
525 1A5Z NAD 5.01567
526 1Z45 NAD 5.01672
527 5MBX SP5 5.03018
528 5MBX FAD 5.03018
529 5YEC ATP 5.04202
530 3MQ2 SAH 5.04587
531 3GMB FAD 5.06024
532 4OPC PGT 5.07726
533 4OPC FDA 5.07726
534 4YNU LGC 5.07881
535 4YNU FAD 5.07881
536 5EZ7 FAD 5.10204
537 1B74 DGN 5.11811
538 6GAS FAD 5.13595
539 2GV8 FAD 5.14541
540 2GVC FAD 5.14541
541 2GV8 NDP 5.14541
542 5TUK FAD 5.14706
543 5I39 FAD 5.14706
544 2Z3Y F2N 5.18395
545 5MZI FAD 5.20607
546 5MZI FYK 5.20607
547 1L3I SAH 5.20833
548 2BES RES 5.23256
549 2EB5 OXL 5.24345
550 4XDZ NDP 5.24781
551 2V57 PRL 5.26316
552 5GSN FAD 5.29801
553 5GSN NAP 5.29801
554 5GSN MMZ 5.29801
555 1W6U NAP 5.29801
556 1RJW ETF 5.30973
557 5ERG SAM 5.32787
558 2YX1 SFG 5.35714
559 2PV7 NAD 5.36913
560 6ECU SAH 5.37975
561 3GD8 GOL 5.38117
562 4WJT NAG 5.38922
563 5KVA SAM 5.39568
564 1HDG NAD 5.42169
565 6GNC FAD 5.44218
566 1E6E FAD 5.46875
567 2Q2V NAD 5.4902
568 4X9M FAD 5.51839
569 5HXI FAD 5.5409
570 5HXI 5HN 5.5409
571 3OZ2 FAD 5.54156
572 2NU8 COA 5.55556
573 5CAE COA 5.56962
574 2BZG SAH 5.60345
575 5A96 GTP 5.62249
576 6AA8 NAD 5.62914
577 1NV8 MEQ 5.6338
578 1NV8 SAM 5.6338
579 6F3M NAD 5.65217
580 5AOV NAP 5.65476
581 1EZ4 NAD 5.66038
582 2FK8 SAM 5.66038
583 1VI2 NAD 5.66667
584 4NTC FAD 5.67164
585 1APZ ASP 5.67376
586 1SC6 NAD 5.69307
587 5TC4 NAD 5.6962
588 4HXY NDP 5.70776
589 1LSS NAD 5.71429
590 1GR0 NAD 5.72207
591 4YAC NAI 5.72391
592 1HDR NAD 5.7377
593 2BD0 NAP 5.7377
594 3GRU AMP 5.76271
595 5ZZ6 ADP 5.76923
596 5ZZ6 NAD 5.76923
597 1UAY ADN 5.78512
598 2HJR APR 5.79268
599 5YF1 SFG 5.80111
600 1OFL NGK GCD 5.82121
601 4USI AKG 5.84416
602 5J6Y BGC 5.85106
603 5J6Y GLC 5.85106
604 2D0O ADP 5.85284
605 4GLL NAD 5.85284
606 1NPD NAD 5.90278
607 3FUU ADN 5.90406
608 4LNU GDP 5.91716
609 6ECT SAM 5.919
610 3QV1 NAD 5.93472
611 1RM4 NDP 5.93472
612 3T31 FAD 5.94966
613 3T31 DCQ 5.94966
614 5D4V SAH 5.97015
615 5WQP NAP 5.98291
616 5LOG SAH 6.00858
617 2XVM SAH 6.03015
618 3AD8 NAD 6.06061
619 3AD8 FAD 6.06061
620 3AD8 PYC 6.06061
621 5E72 SAM 6.06936
622 1ZEM NAD 6.10687
623 1E3W NAD 6.13027
624 5X68 FAD 6.13811
625 1E6W NAD 6.15385
626 2DT5 NAD 6.16114
627 1ELI PYC 6.16967
628 5H81 NAP 6.16967
629 4DCT GDP 6.18729
630 1F8F NAD 6.19946
631 1T26 NAI 6.21118
632 1T26 GBD 6.21118
633 2A92 NAI 6.23053
634 3A27 SAM 6.25
635 6FHO FAD 6.26566
636 4AT0 FAD 6.27451
637 2HNK SAH 6.27615
638 5OFW 9TW 6.27803
639 3X0V FAD 6.28466
640 2HK9 ATR 6.35452
641 2HK9 NAP 6.35452
642 4PTN PYR 6.41399
643 3FPZ AHZ 6.44172
644 1GUZ NAD 6.45161
645 3MAG SAH 6.51466
646 4TM3 FAD 6.54628
647 5N0J FAD 6.55271
648 5J7X FAD 6.55738
649 2NUO BGC 6.55738
650 2NU5 NAG 6.55738
651 2HYQ MAN MAN 6.55738
652 2GUD BMA 6.55738
653 2GUD MAN 6.55738
654 2HYR BGC GLC 6.55738
655 3KIF GDL 6.60377
656 3AXB PRO 6.69643
657 3AXB FAD 6.69643
658 1LLU NAD 6.72515
659 3MCT SAH 6.73401
660 3GCZ SAM 6.73759
661 6C4M NAP 6.75105
662 5TUF TDC 6.84597
663 5TUF FAD 6.84597
664 5BSH PRO 6.85921
665 1Z82 NDP 6.86567
666 1OBB NAD 6.875
667 2XVF FAD 6.89655
668 2XVE FAD 6.89655
669 5X9D 80F 6.90789
670 4MCC 21X 6.91057
671 4B4U NAP 6.93069
672 2HMT NAI 6.94444
673 4PLT OXM 6.94864
674 4PLT NAI 6.94864
675 1KGZ PRP 6.95652
676 3RYC GDP 6.99301
677 2X6T NAP 7.0028
678 2VOH CIT 7.00637
679 1WP4 NDP 7.02341
680 5LD5 NAD 7.02341
681 2CVZ NDP 7.02341
682 3GU3 SAH 7.04225
683 3GD4 NAD 7.04501
684 3GD4 FAD 7.04501
685 1GY8 NAD 7.0529
686 4M69 ANP 7.06714
687 1GV0 NAD 7.09677
688 4D3F NAP 7.09677
689 5EYP GDP 7.10059
690 1U1I NAD 7.14286
691 5EOW FAD 7.16049
692 2PT9 S4M 7.16511
693 2PT9 2MH 7.16511
694 5N53 8NB 7.17949
695 3G89 SAM 7.22892
696 1DJL NAP 7.24638
697 1L7E NAI 7.29167
698 5AJU RP5 7.29927
699 4BV6 FAD 7.30223
700 1JNR FAD 7.33333
701 4FL3 ANP 7.35786
702 1ZQ9 SAM 7.36842
703 3JWH SAH 7.37327
704 5EIN NAP 7.40741
705 4RQU NAD 7.46667
706 5N5D SAM 7.52212
707 3FPF MTA 7.52508
708 3FPF TNA 7.52508
709 5ZI2 NAD 7.53623
710 5ZI2 ADP 7.53623
711 4EFH ADP 7.57576
712 2WA2 SAM 7.6087
713 2CJF RP4 7.64331
714 1NVT NAP 7.66551
715 4B63 NAP 7.69231
716 4B63 FAD 7.69231
717 4B63 ORN 7.69231
718 1X14 NAD 7.73067
719 1RP0 AHZ 7.74648
720 2JJQ SAH 7.76471
721 1F8G NAD 7.8125
722 4YCA NDP 7.82313
723 4DE3 DN8 7.85953
724 4E5N NAD 7.87879
725 1RLJ FMN 7.91367
726 4YMH SAH 7.91667
727 3B1F NAD 7.93103
728 1NAA ABL 7.94824
729 1NAA 6FA 7.94824
730 2Q1S NAI 7.95756
731 1H82 FAD 8.05085
732 1H82 GZZ 8.05085
733 1VBO MAN 8.05369
734 1EQ2 NAP 8.06452
735 3LCC SAH 8.08511
736 1NVM NAD 8.11594
737 2I7C AAT 8.12721
738 5LX9 OLB 8.14332
739 1D4O NAP 8.15217
740 2CUL FAD 8.18966
741 4C3Y FAD 8.19398
742 4C3Y ANB 8.19398
743 3H5N ATP 8.2153
744 1LDN NAD 8.22785
745 1UKG MMA 8.33333
746 1Q8Q MAN MMA 8.33333
747 1Q8S MAN MMA 8.33333
748 2GND MAN 8.33333
749 2GN3 MAN 8.33333
750 2PHU MAN MAN 8.33333
751 1Q8P MAN MMA 8.33333
752 1Q8V MAN MAN 8.33333
753 2GN3 MMA 8.33333
754 2PHF MAN MAN BMA MAN 8.33333
755 1Q8O MAN MMA 8.33333
756 2PHR MAN MAN 8.33333
757 2PHX MAN MAN 8.33333
758 2PHR MAN MAN BMA MAN 8.33333
759 5AHO TLA 8.33333
760 2GNB MAN 8.33333
761 2GMM MAN MAN 8.33333
762 1PNO NAP 8.33333
763 2DBZ NAP 8.38323
764 1G55 SAH 8.45481
765 5Y8L NAD 8.47458
766 5Y8L HUI 8.47458
767 3OA2 NAD 8.49057
768 4POO SAM 8.5
769 1BXK NAD 8.52843
770 4NBW NAD 8.56031
771 2OOR NAD 8.62069
772 3A25 SAM 8.63787
773 5ODQ FAD 8.69565
774 1J5P NAD 8.69565
775 5ODQ 9SB 8.69565
776 1LUA NAP 8.7108
777 1LTH NAD 8.77743
778 4Y9D NAI 8.85246
779 5O98 NAP 8.86288
780 3H8V ATP 8.90411
781 3GXZ NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 8.91089
782 3AY6 NAI 8.92193
783 3WXB NDP 8.96057
784 1SNY NAP 8.98876
785 5K0A FAD 9.09091
786 1QZZ SAM 9.09091
787 5KOX FAD 9.2437
788 5KOX RFP 9.2437
789 3KIH GDL 9.27835
790 1NM5 NAD 9.35961
791 1GEG NAD 9.375
792 5KZV HCD 9.44882
793 1VKO NAD 9.49721
794 5DN9 NAD 9.61539
795 2ZFU SAH 9.76744
796 6FA4 D1W 9.82659
797 3H2B SAH 9.85222
798 5GT9 NAP 9.88593
799 1JAY NAP 9.90566
800 1PZG A3D 9.96979
801 4USR FAD 9.9723
802 5W3K NDP 10
803 5W3K 9TY 10
804 2JB2 FAD 10.0204
805 2JB2 PHE 10.0204
806 3SJU NDP 10.0358
807 4YSX FAD 10.1064
808 4FWE FAD 10.2007
809 4GUS FAD 10.2007
810 4GUT FAD 10.2007
811 4HSU FAD 10.2007
812 4J36 1HR 10.2007
813 4J36 FAD 10.2007
814 1C3V NDP 10.2041
815 1GEE NAD 10.3448
816 5MQ6 NDP 10.3679
817 5C2N NAG 10.4167
818 1FWV SGA MAG FUC 10.4478
819 5IRC GDP 10.4478
820 4UTU LRY 10.4803
821 1WDK NAD 10.5128
822 3A3B RBF 10.5263
823 2NXE SAM 10.6299
824 4D7E FAD 10.7226
825 1YKF NAP 10.7955
826 2FWP CIT 10.929
827 2JAH NDP 10.9312
828 3TA2 AKG 11.0169
829 1O94 ADP 11.0368
830 1DJN ADP 11.0368
831 2VHW NAI 11.1406
832 4YUW 4JU 11.1842
833 4YUW S4M 11.1842
834 3DUW SAH 11.2108
835 5L95 AMP 11.25
836 6BC0 GSP 11.3333
837 5E8J SAH 11.3636
838 4REP FAD 11.3712
839 3DXY SAM 11.4679
840 4NTD FAD 11.4706
841 5NMX NAP 11.5294
842 5NMX FAD 11.5294
843 5AHW CMP 11.5646
844 1C3M MAN MAN 11.5646
845 1EJ4 M7G 11.5789
846 3FG2 FAD 11.6337
847 1VL0 NAI 11.6438
848 2FOI JPA 11.6667
849 2OG2 MLI 11.6992
850 4GN8 ASO 11.7057
851 2PZE ATP 11.8729
852 3CTY FAD 11.9122
853 1N2X SAM 11.9601
854 1UXG FUM 11.9741
855 1UXG NAD 11.9741
856 5NM7 GLY 12.0301
857 3OJF NDP 12.0623
858 6DUB SAH 12.1622
859 1LK7 DER 12.2271
860 2E5V FAD 12.2881
861 4QTU SAM 12.5926
862 3KMT SAH 12.605
863 1USI PHE 12.7168
864 3H0L ADP 12.766
865 3Q87 SAM 12.8
866 1SOW NAD 13.1098
867 2GAG NAD 13.1606
868 2GAG FAD 13.1606
869 2GAG FOA 13.1606
870 4PLG OXM 13.1737
871 4PLG NAI 13.1737
872 3LST SAH 13.2184
873 2FJU GSP 13.4831
874 4CNK FAD 13.555
875 1FQJ GDP 13.6054
876 5OVK NDP 13.6719
877 2OEM 1AE 13.8015
878 5JCM ISD 13.969
879 5JCM NAD 13.969
880 5JCM FAD 13.969
881 1US5 GLU 14.0127
882 2O07 SPD 14.4737
883 2O07 MTA 14.4737
884 2ZIF SAM 14.4781
885 5HP8 PYR 14.5161
886 5NII FAD 14.5631
887 6F5Z SAH 14.7541
888 5KMS FAD 14.8148
889 5KMS NAD 14.8148
890 4YKG FAD 14.9712
891 4YKG NAD 14.9712
892 4NTO 1PW 14.9758
893 5OVL NAP 15.3333
894 2XYQ SAH 15.5738
895 3CIP ATP 15.625
896 4II2 ATP 15.6627
897 2XEM SSV 16
898 3DAG FEG 16.2011
899 2VQ5 HBA 16.4179
900 5L53 NAP 16.6667
901 3AB4 THR 17.4157
902 3AB4 LYS 17.4157
903 3ICT ADP 17.5585
904 3ICS ADP 17.5585
905 3ICS FAD 17.5585
906 3ICR FAD 17.5585
907 3ICT FAD 17.5585
908 5JCA FAD 17.7215
909 5JCA NDP 17.7215
910 5VN0 FAD 17.7606
911 5VN0 NAI 17.7606
912 3NT6 FAD 19.1638
913 3NTA FAD 19.1638
914 3NTD FAD 19.646
915 5NA1 FAD 20.098
916 3LXD FAD 20.7229
917 4NBU NAI 20.8
918 1Q1R FAD 21.5777
919 2YVJ NAI 21.8137
920 2YVF NAD 21.8137
921 2YVF FAD 21.8137
922 2YVJ FAD 21.8137
923 4YRY NAD 22.4359
924 4YRY FAD 22.4359
925 1YQZ FAD 22.6027
926 4EMI NAD 23.1707
927 4EMI FAD 23.1707
928 4EMJ FAD 23.1707
929 3KLJ FAD 23.3766
930 2Q7V FAD 23.6923
931 3LZW NAP 23.7952
932 3LZW FAD 23.7952
933 4M38 SAH 23.8095
934 2CDU ADP 23.8938
935 2CDU FAD 23.8938
936 5FA5 MTA 25
937 4EHQ GBL 25
938 1FL2 FAD 25.1613
939 6GAR FAD 25.5014
940 3AB1 FAD 25.5556
941 5TWB FAD 26.1628
942 3ITJ FAD 26.3314
943 3CGB FAD 26.6667
944 3CGD FAD 27.2917
945 3CGD COA 27.2917
946 3CGD NAD 27.2917
947 2Q0L FAD 27.3312
948 2Q0L NAP 27.3312
949 1MO9 KPC 27.3423
950 1MO9 FAD 27.3423
951 2NPX FAD 27.5168
952 2NPX NAD 27.5168
953 4JNA FAD 27.9412
954 5MIT NAP 28.4404
955 5MIT FAD 28.4404
956 5J60 FAD 29.375
957 4UP3 FAD 29.6178
958 4UP3 NDP 29.6178
959 1XHC FAD 30.5177
960 3BBH SFG 33.6585
961 1ZK7 FAD 38.9722
962 4JDR FAD 40.7173
963 1LVL FAD 43.0131
964 1LVL NAD 43.0131
965 5J5Z FAD 44.5564
966 3RNM FAD 44.8485
967 2A8X FAD 45.2586
968 5U8U FAD 45.5301
969 4M52 M52 45.7082
970 4M52 FAD 45.7082
971 1V59 FAD 46.4435
972 1V59 NAD 46.4435
973 2F5Z FAD 46.8354
974 3LAD FAD 48.1092
Pocket No.: 2; Query (leader) PDB : 6FP4; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6fp4.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6FP4; Ligand: E1T; Similar sites found with APoc: 938
This union binding pocket(no: 3) in the query (biounit: 6fp4.bio1) has 57 residues
No: Leader PDB Ligand Sequence Similarity
1 2O4C NAD 1.05263
2 1X87 NAD 1.08893
3 4PIV NDP 1.17057
4 4BJZ P3A 1.17925
5 4BJZ FAD 1.17925
6 1VJT NAD 1.24224
7 4P87 4NP 1.24688
8 4KVL PLM 1.33779
9 2JHP SAH 1.33779
10 5F8F SFG 1.33779
11 5EVY FAD 1.36986
12 3HQP FDP 1.40281
13 1UP7 NAD 1.43885
14 4XQC NAD 1.47368
15 4XQC 13D 1.47368
16 5FUB SAH 1.48368
17 5JJR SAH 1.50502
18 6A0S HSE 1.50602
19 6A0S NDP 1.50602
20 1GPE FAD 1.53322
21 5FJN FAD 1.53509
22 5FJN BE2 1.53509
23 3DMH SAM 1.5748
24 2AWN ADP 1.5748
25 3DMH GMP 1.5748
26