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Receptor
PDB id Resolution Class Description Source Keywords
3F8D 1.4 Å EC: 1.6.4.5 STRUCTURE OF SULFOLOBUS SOLFATARICUS THIOREDOXIN REDUCTASE MUTANT C147A SULFOLOBUS SOLFATARICUS REDOX PROTEIN NUCLEOTIDE BINDING FAD FLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURE AND STABILITY OF A THIOREDOXIN REDUCTASE FROM SULFOLOBUS SOLFATARICUS: A THERMOSTABLE PROTEIN WITH TWO FUNCTIONS BIOCHIM.BIOPHYS.ACTA V.1794 554 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY B:1501;
Invalid;
none;
submit data
60.052 C2 H4 O2 CC(=O...
FAD A:2001;
B:2002;
C:2003;
D:2004;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
SO4 A:4157;
A:4159;
B:4158;
B:4161;
C:4163;
D:4162;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3F8D 1.4 Å EC: 1.6.4.5 STRUCTURE OF SULFOLOBUS SOLFATARICUS THIOREDOXIN REDUCTASE MUTANT C147A SULFOLOBUS SOLFATARICUS REDOX PROTEIN NUCLEOTIDE BINDING FAD FLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURE AND STABILITY OF A THIOREDOXIN REDUCTASE FROM SULFOLOBUS SOLFATARICUS: A THERMOSTABLE PROTEIN WITH TWO FUNCTIONS BIOCHIM.BIOPHYS.ACTA V.1794 554 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3F8R - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3F8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3F8D - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3F8R - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3F8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3F8D - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (19)
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 3CTY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 2Q0K - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 2Q0L - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 5J60 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 2Q7V - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 3F8R - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 3F8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 3F8D - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 4UP3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
17 1TDF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
18 1TRB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 1TDE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 3F8D; Ligand: FAD; Similar sites found with APoc: 735
This union binding pocket(no: 1) in the query (biounit: 3f8d.bio2) has 65 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 2DFV NAD 1.23839
3 3VSE SAH 1.23839
4 1P77 ATR 1.47059
5 3GFB NAD 1.54799
6 4LWP SAH 1.54799
7 1C3V NDP 1.63265
8 3LCC SAH 1.70213
9 2F1K NAP 1.79211
10 5Y77 FAD 1.85759
11 5MZI FAD 1.85759
12 1DSS NAD 1.85759
13 5MZI FYK 1.85759
14 4ZCC FAD 1.85759
15 4ZCC NAI 1.85759
16 3ZNN 4WL 1.85759
17 3ZNN FAD 1.85759
18 6D6Y SAH 1.85759
19 3WGT QSC 1.85759
20 3WGT FAD 1.85759
21 1BXK NAD 1.85759
22 1SOW NAD 1.85759
23 2Q1S NAI 1.85759
24 3TLJ SAH 1.85759
25 2B4R AES 1.85759
26 2B4R NAD 1.85759
27 2PT9 S4M 1.86916
28 2PT9 2MH 1.86916
29 1LTH NAD 1.88088
30 3OA2 NAD 1.88679
31 2I7C AAT 2.12014
32 2HJR APR 2.16718
33 1P0F NAP 2.16718
34 1GAD NAD 2.16718
35 4L8V NAP 2.16718
36 4Z0H NAD 2.16718
37 2O4C NAD 2.16718
38 2EFX NFA 2.16718
39 5DX0 SFG 2.16718
40 5DXA SFG 2.16718
41 5DWQ SFG 2.16718
42 5NA1 FAD 2.16718
43 1X7D NAD 2.16718
44 5UAO FAD 2.16718
45 1V8B NAD 2.16718
46 2A92 NAI 2.18069
47 5CK5 GDP 2.21519
48 3AYI HCI 2.21914
49 3AYI FAD 2.21914
50 5NM7 GLY 2.25564
51 3QMN A3P 2.32558
52 3QMN COA 2.32558
53 4YAC NAI 2.3569
54 2B9W FAD 2.35849
55 2VDV SAM 2.43902
56 1LUA NAP 2.43902
57 5GSN NAP 2.47678
58 5GSN FAD 2.47678
59 5GSN MMZ 2.47678
60 3UOY FAD 2.47678
61 3UOY NAP 2.47678
62 4RPL FAD 2.47678
63 4RPL 3UC 2.47678
64 3V1Y NAD 2.47678
65 4C4A SAH 2.47678
66 5G48 1FL 2.47678
67 9LDT NAD 2.47678
68 9LDB NAD 2.47678
69 1YS4 NAP 2.47678
70 5GQX GLC GLC GLC GLC GLC GLC GLC 2.47678
71 5OC1 FAD 2.47678
72 5WP5 SAH 2.47678
73 5HJM MTA 2.47678
74 1UP7 NAD 2.47678
75 3WMX NAD 2.47678
76 6BWL NAD 2.47678
77 1D1T NAD 2.47678
78 3GGO NAI 2.54777
79 1GV0 NAD 2.58065
80 1GUZ NAD 2.58065
81 4Y9D NAI 2.62295
82 1YJQ NAP 2.64026
83 2EV9 NAP 2.6616
84 2EV9 SKM 2.6616
85 2AOT SAH 2.73973
86 3DXY SAM 2.75229
87 3B1F NAD 2.75862
88 1J5P NAD 2.7668
89 4RDH AMP 2.77778
90 4RDI ATP 2.77778
91 3QJ4 FAD 2.78638
92 4KVL PLM 2.78638
93 4D7E FAD 2.78638
94 5VLQ ANP 2.78638
95 1PL6 NAD 2.78638
96 1J0X NAD 2.78638
97 2E5V FAD 2.78638
98 4XDZ NDP 2.78638
99 2AQJ FAD 2.78638
100 4BJZ FAD 2.78638
101 4BJZ P3A 2.78638
102 2AQJ TRP 2.78638
103 4JBI NDP 2.78638
104 4GV4 MEJ 2.78638
105 1I8T FAD 2.78638
106 4K5S FAD 2.78638
107 3CIF NAD 2.78638
108 5E4R NAP 2.78638
109 4K5S PM0 2.78638
110 4BGB ADP 2.78638
111 5ERG SAM 2.78638
112 1KEV NDP 2.78638
113 5YF1 SFG 2.78638
114 4PLT OXM 2.78638
115 3CIF G3H 2.78638
116 1PL6 572 2.78638
117 3NJ4 NAD 2.78638
118 3LU1 NAD 2.78638
119 5AOA PPI 2.7972
120 1WG8 SAM 2.80702
121 3G89 SAM 2.81124
122 2ZGY GDP 2.8125
123 1JAY NAP 2.83019
124 5EES NAP 2.83401
125 2G5C NAD 2.84698
126 1QAN SAH 2.86885
127 5ZZ6 ADP 2.88462
128 5ZZ6 NAD 2.88462
129 4D79 ATP 2.89855
130 4D3F NAP 2.90323
131 3MAG SAH 2.9316
132 3WBF NAP 2.95082
133 3WBF API 2.95082
134 3FUU ADN 2.95203
135 1NYT NAP 2.95203
136 4B4U NAP 2.9703
137 2RI1 GLP 2.97872
138 2EB5 OXL 2.99625
139 5OJL TXP 3.02013
140 3MCT SAH 3.0303
141 1ZEM NAD 3.05344
142 5ZI9 FLC 3.07692
143 3H8V ATP 3.08219
144 3S5W NAP 3.09598
145 5ZYN FAD 3.09598
146 3S5W FAD 3.09598
147 3OJO NAD 3.09598
148 3QVP FAD 3.09598
149 3Q9T FAY 3.09598
150 1MUU NAD 3.09598
151 5HSA FAS 3.09598
152 5DNK SAH 3.09598
153 1MV8 NAD 3.09598
154 5FA5 MTA 3.09598
155 4TM3 FAD 3.09598
156 3SSO SAH 3.09598
157 1RM4 NDP 3.09598
158 1F8G NAD 3.09598
159 6C4T NA7 3.09598
160 6BQ6 TER 3.09598
161 5KOK SAH 3.09598
162 4YNU LGC 3.09598
163 4N49 SAM 3.09598
164 1KAE NAD 3.09598
165 1E3I CXF 3.09598
166 4YNU FAD 3.09598
167 2IXB NAD 3.09598
168 2YYY NAP 3.09598
169 4GQB 0XU 3.09598
170 1ZH8 NAP 3.09598
171 1B8U NAD 3.09598
172 1Z82 NDP 3.09598
173 4XQC NAD 3.09598
174 4XQC 13D 3.09598
175 1OMO NAD 3.10559
176 5O22 C3R 3.11419
177 2RGO FAD 3.13015
178 1L1E SAH 3.13589
179 4E13 NAD 3.18021
180 3ORF NAD 3.18725
181 3A4T SFG 3.28467
182 1UAY ADN 3.30579
183 3A27 SAM 3.30882
184 2RGH FAD 3.3275
185 3GRU AMP 3.38983
186 2DC1 NAD 3.38983
187 3NKS FAD 3.40557
188 2JHP SAH 3.40557
189 1V6A TRE 3.40557
190 1NVM NAD 3.40557
191 3ULK NDP 3.40557
192 4MO2 FAD 3.40557
193 4MO2 FDA 3.40557
194 4XDY NAI 3.40557
195 5CAE COA 3.40557
196 5JJR SAH 3.40557
197 2UZ1 TPP 3.40557
198 4AT0 FAD 3.40557
199 5A1T OXM 3.40557
200 1H5R THM 3.41297
201 1LDN NAD 3.48101
202 2P3V SRT 3.51562
203 1RP0 AHZ 3.52113
204 3MB5 SAM 3.52941
205 4WJT NAG 3.59281
206 5N6C NAD 3.66667
207 2D2I NAP 3.68421
208 4FWE FAD 3.71517
209 1WDK NAD 3.71517
210 1D4D FAD 3.71517
211 5UR0 NAD 3.71517
212 4XB2 NDP 3.71517
213 6DNT NAD 3.71517
214 3C6K SPD 3.71517
215 1GPE FAD 3.71517
216 4BVA NDP 3.71517
217 4XB2 HSE 3.71517
218 3C6K MTA 3.71517
219 5X68 FAD 3.71517
220 1YKF NAP 3.71517
221 2GCG NDP 3.71517
222 1F3L SAH 3.73832
223 3L6R MLI 3.75723
224 2FK8 SAM 3.77358
225 1KPG SAH 3.83275
226 1O6Z NAD 3.9604
227 5GZ6 NDP 4.02477
228 1COY FAD 4.02477
229 5GZ6 7C3 4.02477
230 2Z3Y F2N 4.02477
231 3HWW AKG 4.02477
232 4M37 SAH 4.02477
233 4M38 SAH 4.02477
234 2GMH FAD 4.02477
235 4MIG G3F 4.02477
236 1COY AND 4.02477
237 1A5Z NAD 4.07523
238 3WV8 ATP 4.12844
239 3B20 NAD 4.12979
240 3B1J NAD 4.12979
241 2CVZ NDP 4.15225
242 1I36 NAP 4.16667
243 3JQ9 AX1 4.16667
244 1KPH SAH 4.18118
245 1TPY SAH 4.18118
246 1HYH NAD 4.20712
247 1NV8 MEQ 4.22535
248 1NV8 SAM 4.22535
249 2PWY SAH 4.26357
250 2DT5 NAD 4.2654
251 5JE8 NAD 4.30464
252 3A25 SAM 4.31894
253 2ZXI FAD 4.33437
254 1PS9 FAD 4.33437
255 1PS9 NAP 4.33437
256 1YY5 FAD 4.33437
257 1RSG FAD 4.33437
258 2VHW NAI 4.33437
259 5YB7 FAD 4.33437
260 5YB7 ORN 4.33437
261 1QMG APX 4.33437
262 3X0V FAD 4.33437
263 1WPQ NAD 4.33437
264 4KIB SAH 4.33437
265 1PN0 FAD 4.33437
266 1CDO NAD 4.33437
267 1PN0 IPH 4.33437
268 5J7X FAD 4.33437
269 6CEP OXM 4.33437
270 3L4S NAD 4.33437
271 6CEP NAD 4.33437
272 3L4S 3PG 4.33437
273 5EB4 FAD 4.33437
274 5TTJ FAD 4.4898
275 2NU8 COA 4.51389
276 5WGD EST 4.5977
277 5WGQ EST 4.5977
278 5DXE EST 4.5977
279 5FJN FAD 4.64396
280 5FJN BE2 4.64396
281 1IZC PYR 4.64396
282 4B63 FAD 4.64396
283 4B63 ORN 4.64396
284 4B63 NAP 4.64396
285 5BVA FAD 4.64396
286 1KJ8 GAR 4.64396
287 4KJG 4NP 4.64396
288 3EC1 GDP 4.64396
289 2IVD FAD 4.64396
290 5G3U ITW 4.64396
291 1HDG NAD 4.64396
292 2YX1 SFG 4.64396
293 5G3U FDA 4.64396
294 1GQ2 NAP 4.64396
295 6A3J NAI 4.64396
296 1ZGS XMM 4.64396
297 2QA8 GEN 4.65116
298 5HYR EST 4.65116
299 1JQ3 AAT 4.72973
300 2BZG SAH 4.74138
301 2VAR ANP 4.79233
302 5KKA 6V0 4.80769
303 3FIU AMP 4.81928
304 4XFR CIT 4.91803
305 1PJS NAD 4.95356
306 2VVL FAD 4.95356
307 4Z24 FAD 4.95356
308 3K5I AIR 4.95356
309 2YG3 FAD 4.95356
310 2VVM FAD 4.95356
311 1CF2 NAP 4.95356
312 2JB2 PHE 4.95356
313 2JB2 FAD 4.95356
314 1O0S NAI 4.95356
315 1SC6 NAD 4.95356
316 1CER NAD 4.95356
317 5X62 SAH 4.95356
318 4ZGS NAD 4.95356
319 5EOW FAD 4.95356
320 3CB2 GDP 4.95356
321 1ORR NAD 4.95356
322 5O4J SAH 5.10949
323 5O4J PJL 5.10949
324 5O4J 9KH 5.10949
325 2VT3 ATP 5.11628
326 4OM8 NAD 5.17799
327 1NE7 AGP 5.19031
328 5A96 GTP 5.22088
329 3AB4 THR 5.22565
330 4TXI FAD 5.26316
331 2BRY FAD 5.26316
332 2RGJ FAD 5.26316
333 1X14 NAD 5.26316
334 6F97 FAD 5.26316
335 4J56 FAD 5.26316
336 1ELI PYC 5.26316
337 3ABI NAD 5.26316
338 4IV9 FAD 5.26316
339 4RQU NAD 5.26316
340 4E5N NAD 5.26316
341 4YT4 FE9 5.26316
342 1WVG APR 5.26316
343 5KOX FAD 5.26316
344 2X6T NAP 5.26316
345 4X9M FAD 5.26316
346 5KOX RFP 5.26316
347 4NEC SAH 5.30303
348 1EBF NAD 5.30726
349 4CJX NAP 5.32915
350 2GNK ATP 5.35714
351 3AXB PRO 5.35714
352 3AXB FAD 5.35714
353 5KVA SAM 5.39568
354 3VPH NAD 5.48387
355 3VPH OXM 5.48387
356 1EQ2 NAP 5.48387
357 2HMT NAI 5.55556
358 5MQ6 NDP 5.57276
359 2GV8 NDP 5.57276
360 6H3O FAD 5.57276
361 2IZ1 ATR 5.57276
362 2Q1W NAD 5.57276
363 5H81 NAP 5.57276
364 3H5N ATP 5.57276
365 5BRT FAD 5.57276
366 5BRT CH9 5.57276
367 2GV8 FAD 5.57276
368 2GVC FAD 5.57276
369 3DAG FEG 5.57276
370 1VQW FAD 5.57276
371 1GZ4 ATP 5.57276
372 3NYC IAR 5.57276
373 3NYC FAD 5.57276
374 1LLU NAD 5.57276
375 5UAV TFB 5.59006
376 5UAV NDP 5.59006
377 5BW4 SAM 5.61798
378 6AA8 NAD 5.62914
379 5I39 FAD 5.63725
380 5ICK FEZ 5.67686
381 5E5U MLI 5.68182
382 1LSS NAD 5.71429
383 2HT6 GDP 5.74713
384 5X20 NAD 5.76923
385 3P2E SAH 5.77778
386 6FHO FAD 5.88235
387 5YEC ATP 5.88235
388 3GF4 UPG 5.88235
389 1VCO GLN 5.88235
390 3GF4 FAD 5.88235
391 1LDM NAD 5.88235
392 4EUE NAI 5.88235
393 3GDN HBX 5.88235
394 6C4M NAP 5.88235
395 3GDN FAD 5.88235
396 5THY SAH 5.92593
397 5BSZ SAH 6
398 5IDM ANP 6.14525
399 5AYV NAP 6.14887
400 5AYV KPL 6.14887
401 2HK9 ATR 6.18182
402 2HK9 NAP 6.18182
403 3IHG FAD 6.19195
404 1Q9I FAD 6.19195
405 1Q9I TEO 6.19195
406 1BW9 NAD 6.19195
407 1C1X NAD 6.19195
408 1BXG NAD 6.19195
409 5BUK FAD 6.19195
410 3E1T FAD 6.19195
411 3X0D SAH 6.19195
412 5LD5 NAD 6.19195
413 5Z20 NAI 6.19195
414 2BTO GTP 6.19195
415 3A06 NDP 6.19195
416 2R4J FAD 6.19195
417 2R4J 13P 6.19195
418 1H2B NAJ 6.19195
419 1DJN ADP 6.19195
420 1OFS SUC 6.25
421 1VI2 NAD 6.33333
422 3Q3C NAD 6.35452
423 4URF 1PS 6.45161
424 4YCA NDP 6.46258
425 3L9W GSH 6.50155
426 4U8P FDA 6.50155
427 3L9W AMP 6.50155
428 4U8P UDP 6.50155
429 3HDY FAD 6.50155
430 3HDY FDA 6.50155
431 3HDY GDU 6.50155
432 2CUL FAD 6.50155
433 5FUB SAH 6.50155
434 4TSK NDP 6.50155
435 3ZYR NAG NAG BMA MAN MAN NAG NAG 6.51341
436 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 6.51341
437 1IM8 SAI 6.55738
438 2GUD MAN 6.55738
439 1NPD NAD 6.59722
440 1NVT NAP 6.62021
441 1ZQ9 SAM 6.66667
442 1FWV SGA MAG FUC 6.71642
443 1L3I SAH 6.77083
444 1DDU DDU 6.79245
445 2Y6Q FAD 6.81115
446 4EIP K2C 6.81115
447 3G5S FAD 6.81115
448 4REP FAD 6.81115
449 6F7L FAD 6.81115
450 4EIP FAD 6.81115
451 2Y6Q I7T 6.81115
452 4ZRN NAD 7.05128
453 3RFV 15L 7.11611
454 5U5G NAP 7.11864
455 5ZBC FAD 7.12074
456 1X87 NAD 7.12074
457 5MBX SP5 7.12074
458 5MBX FAD 7.12074
459 3H9E NAD 7.12074
460 1GY8 NAD 7.12074
461 6F3M NAD 7.12074
462 4GKV NAD 7.12074
463 1YKJ PHB 7.12074
464 1YKJ FAD 7.12074
465 1KOL NAD 7.12074
466 6BII NAP 7.12074
467 1JG3 ADN 7.23404
468 3EGI ADP 7.28155
469 2AHR NAP 7.33591
470 2PV7 NAD 7.38255
471 2R75 01G 7.39645
472 2YVJ NAI 7.43034
473 2F5Z FAD 7.43034
474 5J5Z FAD 7.43034
475 2YVF NAD 7.43034
476 2YVF FAD 7.43034
477 4DSG UDP 7.43034
478 4DSG FAD 7.43034
479 3RNM FAD 7.43034
480 6C4N NAP 7.43034
481 3OZ2 FAD 7.43034
482 2I3G NAP 7.43034
483 2YVJ FAD 7.43034
484 2WET FAD 7.43034
485 1Z45 NAD 7.43034
486 5NUF NAD 7.43034
487 2CDC XYP 7.43034
488 5NUE NAD 7.43034
489 1RYI GOA 7.43034
490 1RYI FAD 7.43034
491 2CDC NAP 7.43034
492 1OBB NAD 7.43034
493 2OHH FMN 7.43034
494 4JK3 NAD 7.72201
495 1H82 FAD 7.73994
496 1H82 GZZ 7.73994
497 2DKH FAD 7.73994
498 1KYZ SAH 7.73994
499 2DKH 3HB 7.73994
500 3OFK SAH 7.87037
501 2AUY NAG MAN MMA 7.93651
502 2GNB MAN 7.93651
503 2AR6 NAG MAN 7.93651
504 2GMM MAN MAN 7.93651
505 2PHU MAN MAN 7.93651
506 2AR6 NAG MAN MAN MAN NAG 7.93651
507 2GNM MAN 7.93651
508 2GN3 MAN 7.93651
509 6BE0 COA 7.94702
510 1WP4 NDP 7.95848
511 5EVY FAD 8.04954
512 1JNR FAD 8.04954
513 4C3Y ANB 8.04954
514 1LJ8 NAD 8.04954
515 1XVB BHL 8.04954
516 3G2O SAM 8.04954
517 4ZLU ADP 8.04954
518 1M2W NAD 8.04954
519 4C3Y FAD 8.04954
520 2P41 SAH 8.19672
521 1HDR NAD 8.19672
522 2FXV 5GP 8.24742
523 3ESS 18N 8.26087
524 1SAY PYR 8.31025
525 1QO8 FAD 8.35913
526 5TUF FAD 8.35913
527 5EZ7 FAD 8.35913
528 1E1M FAD 8.35913
529 1E1M NAP 8.35913
530 1E6E FAD 8.35913
531 5TUF TDC 8.35913
532 1F06 NDP 8.4375
533 3BGD SAH 8.46154
534 3QV1 NAD 8.53659
535 2O07 MTA 8.55263
536 2O07 SPD 8.55263
537 2FZW NAD 8.57909
538 4LHD GLY 8.66873
539 4IWN GEK 8.73362
540 5L95 AMP 8.75
541 4RSL FAD 8.76404
542 1EZ4 NAD 8.80503
543 5OCM NAP 8.93471
544 3T31 FAD 8.97833
545 3T31 DCQ 8.97833
546 1C0I BE2 8.97833
547 1C0I FAD 8.97833
548 3KB6 NAD 8.97833
549 3TTC ADP 8.97833
550 3QH2 3NM 9.04977
551 2GAG NAD 9.09091
552 2GAG FAD 9.09091
553 2GAG FOA 9.09091
554 3EVG SAH 9.09091
555 3GCZ SAM 9.21986
556 2QA1 FAD 9.28793
557 1HKU NAD 9.28793
558 1EJ0 SAM 9.44444
559 5Y8L NAD 9.49153
560 5TUK FAD 9.59752
561 3K7M FAD 9.59752
562 5AOV NAP 9.59752
563 4NTO 1PW 9.66184
564 5D4V SAH 9.70149
565 3RYC GDP 9.79021
566 3RYC GTP 9.79021
567 5YRI GLC GLC 9.85915
568 5YRF GLC GLC 9.85915
569 3AD8 NAD 9.90712
570 3KLJ FAD 9.90712
571 2DBZ NAP 9.90712
572 5N2I NAP 9.91379
573 1N2X SAM 9.96678
574 5O3Q CMP 10
575 3NOJ PYR 10.084
576 2XVF FAD 10.2167
577 1KNR FAD 10.2167
578 2BOS GLA GAL GLC NBU 10.2941
579 2WC1 FMN 10.4396
580 2XVE FAD 10.5263
581 1NAA ABL 10.5263
582 1NAA 6FA 10.5263
583 5EYP GTP 10.6509
584 3U31 NAD 10.6897
585 5AHW CMP 10.8844
586 6HKE LMR 11.0063
587 5WGR FAD 11.1455
588 3UCL NAP 11.1455
589 3UCL CYH 11.1455
590 3UCL FAD 11.1455
591 5I0H ADP BEF 11.1455
592 3LKZ SFG 11.215
593 1G55 SAH 11.4551
594 2VYN NAD 11.7647
595 4HA6 FAD 11.7647
596 5VN0 NAI 11.9691
597 5VN0 FAD 11.9691
598 4II2 ATP 12.0482
599 1LVL NAD 12.0743
600 1LVL FAD 12.0743
601 2PXX SAH 12.093
602 4YSX FAD 12.1795
603 6AIN FAD 12.3839
604 3FPZ AHZ 12.3839
605 4J36 FAD 12.3839
606 4J36 1HR 12.3839
607 4MOP 2H5 12.6382
608 1NM5 NAD 12.6935
609 2OOR NAD 13.0031
610 1L7E NAI 13.0031
611 1NXJ TLA 13.1148
612 3GMB FAD 13.3127
613 5MPT SAH 13.3127
614 5HXI FAD 13.6223
615 5HXI 5HN 13.6223
616 5ODQ FAD 13.6223
617 4KRI SAH 13.6223
618 5Z75 NAD 13.6223
619 3T7S SAM 13.806
620 5K9B FMN 13.8889
621 1O94 ADP 14.0625
622 1V59 NAD 14.2415
623 5JCM NAD 14.2415
624 5JCM ISD 14.2415
625 5JCM FAD 14.2415
626 1V59 FAD 14.2415
627 2AG8 NAP 14.4487
628 6ER9 FAD 14.5511
629 6ER9 NAP 14.5511
630 5XVH NAP 15.0327
631 1J49 NAD 15.1703
632 1SKQ GDP 15.1703
633 3PT9 SAH 15.1703
634 1KYQ NAD 15.6934
635 4OPC PGT 15.7895
636 4CNK FAD 15.7895
637 4OPC FDA 15.7895
638 4GUS FAD 16.129
639 4GUT FAD 16.129
640 4HSU FAD 16.129
641 5TS5 FAD 16.7183
642 3GD4 NAD 17.3375
643 3GD4 FAD 17.3375
644 4BV6 FAD 17.3375
645 3NT6 FAD 17.6471
646 3NTA FAD 17.6471
647 4QTU SAM 17.7885
648 5Z21 NAI 17.9567
649 3NTD FAD 18.2663
650 1Y8Q ATP 18.5759
651 1P1C SAH 18.593
652 5JWC FAD 19.195
653 4JDR FAD 19.5046
654 1I9G SAM 19.6429
655 3LAD FAD 19.8142
656 1ZK7 FAD 19.8142
657 3LXD FAD 20.4334
658 3FG2 FAD 20.7921
659 5C2N NAG 20.8333
660 1REO FAD 21.0526
661 2HQM FAD 21.0526
662 2CDU ADP 21.3622
663 5NMX FAD 21.3622
664 5NMX NAP 21.3622
665 2CDU FAD 21.3622
666 4CQM NAP 22.2222
667 2C7G FAD 22.6006
668 2C7G ODP 22.6006
669 1APZ ASP 22.695
670 2IID FAD 22.9102
671 2IID PHE 22.9102
672 4USR FAD 22.9102
673 2VOH CIT 23.0769
674 1PFK ADP 23.75
675 4USQ FAD 23.839
676 3ICT ADP 24.1486
677 3ICS ADP 24.1486
678 4EMI NAD 24.1486
679 4EMI FAD 24.1486
680 4EMJ FAD 24.1486
681 3ICR FAD 24.1486
682 3ICS FAD 24.1486
683 3ICT FAD 24.1486
684 2NPX NAD 24.7678
685 2NPX FAD 24.7678
686 4AP3 NAP 25.0774
687 4AP3 FAD 25.0774
688 3SQP FAD 25.387
689 1BZL FAD 25.6966
690 1BZL GCG 25.6966
691 5KMS NAD 26.0062
692 1FEC FAD 26.0062
693 5KMS FAD 26.0062
694 2RAB NAD 26.3158
695 2RAB FAD 26.3158
696 1GET NAP 26.935
697 1GET FAD 26.935
698 4D04 NAP 27.8638
699 4D04 FAD 27.8638
700 3QFA FAD 28.1734
701 2A8X FAD 28.4483
702 1Q1R FAD 28.483
703 5JCA NDP 28.7926
704 5JCA FAD 28.7926
705 1YQZ FAD 28.7926
706 4M52 M52 28.97
707 4M52 FAD 28.97
708 5EIN NAP 29.6296
709 1MO9 FAD 30.6502
710 1MO9 KPC 30.6502
711 2WPF WPF 30.6502
712 2WPF FAD 30.6502
713 1XHC FAD 30.6502
714 3CGB FAD 31.5789
715 2NVK NAP 32.1981
716 3CGD FAD 32.1981
717 3CGD COA 32.1981
718 3CGD NAD 32.1981
719 2NVK FAD 32.1981
720 4NTD FAD 33.8235
721 4JNA FAD 38.0805
722 5K0A FAD 40.5573
723 4NTC FAD 40.5573
724 5U8U FAD 41.4861
725 3AB1 FAD 41.7957
726 5TWB FAD 43.0233
727 6GAS FAD 43.6533
728 5N0J FAD 43.9628
729 6GAR FAD 44.2724
730 1GTE FAD 44.582
731 4YRY NAD 45.5108
732 4YRY FAD 45.5108
733 3LZW NAP 45.8204
734 3LZW FAD 45.8204
735 5NII FAD 48.5437
Pocket No.: 2; Query (leader) PDB : 3F8D; Ligand: FAD; Similar sites found with APoc: 67
This union binding pocket(no: 2) in the query (biounit: 3f8d.bio2) has 68 residues
No: Leader PDB Ligand Sequence Similarity
1 6GKV SAH 1.54799
2 3OPT AKG 1.85759
3 5EYY MDM 2.04082
4 2UYQ SAM 2.25806
5 5DN9 NAD 2.47678
6 3C1O NAP 2.49221
7 2JBM SRT 2.67559
8 1XX4 BAM 2.68199
9 4PLT NAI 2.78638
10 1ZNY GDP 2.89855
11 2Q8Z NUP 2.92398
12 1HFU NAG NDG 3.09598
13 1K4M CIT 3.28639
14 1UJP CIT 3.32103
15 5Y3N 8MF 3.40557
16 5YAP 8S0 3.40557
17 5YAP NAI 3.40557
18 5HS2 CTP 3.44828
19 6FKW PQQ 3.71517
20 3WYA GDP 3.91705
21 3KP6 SAL 3.97351
22 4WQQ MAN 4.25532
23 3NB0 G6P 4.33437
24 2YY7 NAD 4.48718
25 2QQF A1R 4.54545
26 1GQ2 OXL 4.64396
27 4OH4 ANP 4.64396
28 3UUD EST 4.78088
29 3B9Q MLI 4.96689
30 3AB4 LYS 5.22565
31 1T9D P22 5.88235
32 5WKC TP9 5.88235
33 2OEM 1AE 5.88235
34 5TCI MLI 6.15942
35 3EXH TPP 6.19195
36 2XWL CTP 6.27803
37 2PHN GDP 6.29921
38 3FWN 6PG 6.50155
39 3CYQ AMU 6.52174
40 5LHT TIH 6.80272
41 2CUN 3PG 7.12074
42 5F8F SFG 7.43034
43 1LES GLC FRU 7.73481
44 2GND MAN 7.93651
45 2GN3 MMA 7.93651
46 1XVB BHL BHL 8.04954
47 2W5P CL8 8.05369
48 1OFU GDP 8.40336
49 1F06 2NP 8.4375
50 1YBH P22 9.28793
51 5Y8L HUI 9.49153
52 5WXU FLC 9.59752
53 2BOS GLA GAL GLC 10.2941
54 4KCT FDP 10.8359
55 5I8F ML1 11.5152
56 4CBX ATP 11.811
57 3BAZ NAP 12.0743
58 5EIB GTP 12.426
59 2QZT PLM 12.6126
60 3GUZ PAF 14.2045
61 6F05 GTS 15.814
62 1LOB MMA 17.3077
63 2V7Q ADP 18
64 4KXQ APR 20
65 3D36 ADP 21.7391
66 4PU6 ASP 24.4275
67 3HQP FDP 27.2446
Pocket No.: 3; Query (leader) PDB : 3F8D; Ligand: FAD; Similar sites found with APoc: 42
This union binding pocket(no: 3) in the query (biounit: 3f8d.bio1) has 67 residues
No: Leader PDB Ligand Sequence Similarity
1 3HBN UDP 1.77305
2 2VHJ ADP 1.85759
3 2QV7 ADP 1.85759
4 4X6I 3Y1 1.86047
5 3GN8 DEX 2.00803
6 1HSR BHO 2.03488
7 4O48 ASP 2.16718
8 4JJF FE9 2.16718
9 1VM6 NAD 2.19298
10 2OG2 MLI 2.78638
11 3LJU IP9 2.78638
12 5WP4 SAH 2.78638
13 5BSH PRO 2.88809
14 3S1S SAH 3.09598
15 6EL3 NAP 3.40557
16 5A1T NAI 3.40557
17 1V1A ADP 3.55987
18 2OD9 A1R NCA 4.54545
19 2BNE U5P 4.56432
20 3JWH SAH 4.60829
21 1U1I NAD 4.64396
22 4DPL NAP 4.73538
23 1WUU ANP 5.01253
24 1M2Z DEX 5.05837
25 4P6X HCY 5.09804
26 2J5V PCA 5.57276
27 2XYQ SAH 5.7377
28 4CU7 GIF 5.88235
29 1RRM APR 5.88235
30 1DJL NAP 6.28019
31 2IV3 UDP 8.04954
32 4J1Q NDP 8.66873
33 2CJF RP4 8.9172
34 5LOG SAH 9.87124
35 1VBO MAN MAN MAN 10.0671
36 3QX9 ATP 11.5942
37 4OBW SAM 12.0623
38 2JJQ SAH 14.2415
39 1VG9 GDP 14.5946
40 3VZS NAP 15.5642
41 4C1Q SAH 18.2857
42 5YT0 GDP 28.5714
Pocket No.: 4; Query (leader) PDB : 3F8D; Ligand: FAD; Similar sites found with APoc: 52
This union binding pocket(no: 4) in the query (biounit: 3f8d.bio1) has 65 residues
No: Leader PDB Ligand Sequence Similarity
1 5WPJ NDP 1.85759
2 1W5F G2P 2.47678
3 4MDH NAD 2.47678
4 1UXG NAD 2.589
5 1UXG FUM 2.589
6 4ZX2 4TE 2.78638
7 4HXY NDP 2.78638
8 2BGM NAJ 2.8777
9 6BXL SAM 3.09598
10 1GZ6 NAI 3.1348
11 4GLW NMN 3.27869
12 5X9D 80F 3.28947
13 2V6G NAP 3.40557
14 5DF1 58X 3.40557
15 5DF1 NAP 3.40557
16 4OOE NDP 3.40557
17 4H6U ACO 3.5
18 2ZIF SAM 3.7037
19 2AWN ADP 3.71517
20 3DMH SAM 3.71517
21 3WY9 GDP 3.91705
22 2PK3 A2R 4.04984
23 3AKK ADP 4.33437
24 4TQK NAG 4.33437
25 1D4O NAP 4.34783
26 1G60 SAM 4.61538
27 2UVO NDG 4.67836
28 2VAR AMP 4.79233
29 5URY PAM 4.79452
30 2VDF OCT 5.5336
31 1VL0 NAI 5.82192
32 1MVQ MMA 6.35593
33 3CBG SAH 6.46552
34 5A0U CHT 6.50155
35 2HYR BGC GLC 6.55738
36 4B5W PYR 6.64062
37 3RFV NAI 7.11611
38 3Q72 GNP 7.22892
39 2BO4 FLC 7.43034
40 5GT9 NAP 7.60456
41 2R68 SUP 7.73994
42 1Q8O MAN MMA 7.93651
43 3BGD PM6 8.46154
44 4L8F MTX 8.97436
45 1Z0N BCD 9.375
46 5WXU IAC 9.59752
47 1EJH M7G 10.5263
48 5Z2F NAP 10.566
49 5BJX UDP 10.8359
50 4IPE ANP 12.0743
51 4IVG ANP 12.0743
52 3F81 STT 12.5683
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