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Receptor
PDB id Resolution Class Description Source Keywords
4J56 2.37 Å EC: 1.8.1.9 STRUCTURE OF PLASMODIUM FALCIPARUM THIOREDOXIN REDUCTASE-THI COMPLEX PLASMODIUM FALCIPARUM PROTEIN-PROTEIN COMPLEX THIOREDOXIN FOLD OXIDOREDUCTASE DREDUCTASE FAD BINDING NADPH BINDING THIOREDOXIN BINDING
Ref.: CRYSTAL STRUCTURE OF THE PLASMODIUM FALCIPARUM THIO REDUCTASE-THIOREDOXIN COMPLEX. J.MOL.BIOL. V. 425 3446 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD D:600;
B:600;
A:600;
C:600;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4J56 2.37 Å EC: 1.8.1.9 STRUCTURE OF PLASMODIUM FALCIPARUM THIOREDOXIN REDUCTASE-THI COMPLEX PLASMODIUM FALCIPARUM PROTEIN-PROTEIN COMPLEX THIOREDOXIN FOLD OXIDOREDUCTASE DREDUCTASE FAD BINDING NADPH BINDING THIOREDOXIN BINDING
Ref.: CRYSTAL STRUCTURE OF THE PLASMODIUM FALCIPARUM THIO REDUCTASE-THIOREDOXIN COMPLEX. J.MOL.BIOL. V. 425 3446 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4J57 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 4J56 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4J57 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 4J56 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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 4J57 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 4J56 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3QFA - 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 : 4J56; Ligand: FAD; Similar sites found with APoc: 941
This union binding pocket(no: 1) in the query (biounit: 4j56.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 3G5S FAD 1.3544
2 1X7D NAD 1.42857
3 5DN9 NAD 1.92308
4 1YKF NAP 1.98864
5 5M58 SAH 2.17391
6 1U1I NAD 2.29592
7 6FHO FAD 2.50627
8 4USI AKG 2.5974
9 4YAC NAI 2.63158
10 1GZ6 NAI 2.63158
11 1UXG FUM 2.63158
12 1UXG NAD 2.63158
13 3LST SAH 2.63158
14 3TKA SAM 2.63158
15 5EVY FAD 2.63158
16 4ZFL 4NK 2.63158
17 2D3N GLC GLC GLC 2.63158
18 6F7L FAD 2.71493
19 5OCM NAP 2.74914
20 1IZC PYR 2.94985
21 1CER NAD 3.02115
22 5EES NAP 3.14233
23 5YAP NAI 3.15789
24 5YAP 8S0 3.15789
25 4U60 SIA GAL NGA 3.21429
26 4U60 SIA 3.21429
27 3GEG NAD 3.23887
28 4EIP FAD 3.27869
29 4EIP K2C 3.27869
30 4AR8 IP8 GLY PRO ALA 3.29949
31 2IVD FAD 3.34728
32 1C3M MAN MAN 3.40136
33 2Q1S NAI 3.44828
34 1PN0 IPH 3.50877
35 1PN0 FAD 3.50877
36 5TUF TDC 3.50877
37 5TUF FAD 3.50877
38 6F97 FAD 3.50877
39 1ZQ9 SAM 3.50877
40 3CIF NAD 3.50877
41 1RM4 NDP 3.50877
42 3JWH SAH 3.50877
43 2B4R AES 3.50877
44 4ZGS NAD 3.50877
45 2B4R NAD 3.50877
46 3C3Y SAH 3.50877
47 4UTU LRY 3.50877
48 3CIF G3H 3.50877
49 4FZV SAM 3.50877
50 2I3G NAP 3.50877
51 4UTW RFW 3.50877
52 5KKA 6V0 3.51201
53 5JJR SAH 3.51201
54 3V1Y NAD 3.56083
55 3NKS FAD 3.56394
56 5JVB 2PO 3.57143
57 4Z0H NAD 3.59281
58 2Q1W NAD 3.6036
59 2VVL FAD 3.63636
60 2VVM FAD 3.63636
61 3Q3C NAD 3.67893
62 4YMH SAH 3.75
63 3KIF GDL 3.77358
64 2BRY FAD 3.82294
65 5EZ7 FAD 3.82653
66 1V1A ADP 3.8835
67 5YSS NAD 3.90625
68 3IHG FAD 3.92523
69 5N5D SAM 3.9823
70 1ORR NAD 4.06654
71 4XFR CIT 4.21546
72 3AFN NAP 4.26357
73 5ZJ5 NAI 4.32099
74 2CH5 NDG 4.32277
75 2CH5 NAG 4.32277
76 1XXR MAN 4.34783
77 5YU3 PRO 4.36047
78 5YU3 NAD 4.36047
79 3EGI ADP 4.36893
80 1REO FAD 4.38596
81 4TXI FAD 4.38596
82 4K5S FAD 4.38596
83 5BUK FAD 4.38596
84 1Q9I FAD 4.38596
85 1Q9I TEO 4.38596
86 4B63 NAP 4.38596
87 4B63 ORN 4.38596
88 4B63 FAD 4.38596
89 4JK3 NAD 4.38596
90 1DSS NAD 4.38596
91 4K5S PM0 4.38596
92 3H9E NAD 4.38596
93 1GQ2 NAP 4.38596
94 2CDC NAP 4.38596
95 2CDC XYP 4.38596
96 2CDC XYS 4.38596
97 1MJT ITU 4.38596
98 4KRG SAH 4.38596
99 4YUW 4JU 4.38596
100 4YUW S4M 4.38596
101 5OVK NDP 4.38596
102 3QOX SAH 4.38596
103 1SAZ ACP 4.38596
104 1P31 EPU 4.38596
105 1VHT BA3 4.38596
106 6DVH FMN 4.38596
107 3OA2 NAD 4.40252
108 5U5G NAP 4.43623
109 5Z21 NAI 4.46927
110 4ZNO SUC 4.47761
111 1ZGA SAH 4.48179
112 2XWL CTP 4.4843
113 4ZRN NAD 4.48718
114 3UIE ANP 4.5
115 4XDA ADP 4.53074
116 1UAY ADN 4.54545
117 1I36 NAP 4.54545
118 4E5N NAD 4.54545
119 4HXY NDP 4.56621
120 3GFB NAD 4.57143
121 4E13 NAD 4.59364
122 1PJS NAD 4.59519
123 5MZI FAD 4.62107
124 5MZI FYK 4.62107
125 2G5C NAD 4.62633
126 5UAV TFB 4.65839
127 5UAV NDP 4.65839
128 4GA6 AMP 4.67836
129 1LLU NAD 4.67836
130 5EOW FAD 4.69136
131 1XTP SAI 4.72441
132 3Q85 GNP 4.73373
133 1J5P NAD 4.74308
134 3HGM ATP 4.7619
135 5HJM MTA 4.82955
136 4PLT NAI 4.83384
137 4PLT OXM 4.83384
138 3VPH NAD 4.83871
139 3VPH OXM 4.83871
140 1HYH NAD 4.85437
141 3DUW SAH 4.93274
142 1YXM ADE 4.9505
143 3GDH SAH 4.97925
144 4ZCC FAD 5.05952
145 4ZCC NAI 5.05952
146 4YDU ADP 5.06329
147 5Y77 FAD 5.074
148 6BQ6 TER 5.13595
149 5KJW 53C 5.15223
150 5TK8 7D5 5.15464
151 3B1F NAD 5.17241
152 2IID PHE 5.22088
153 2IID FAD 5.22088
154 3T7S SAM 5.22388
155 2BES RES 5.23256
156 3NT6 FAD 5.26316
157 3NTA FAD 5.26316
158 3NTD FAD 5.26316
159 3AYI HCI 5.26316
160 3AYI FAD 5.26316
161 2C7G FAD 5.26316
162 2C7G ODP 5.26316
163 4REP FAD 5.26316
164 3Q9T FAY 5.26316
165 4X9M FAD 5.26316
166 1MUU NAD 5.26316
167 2DKH FAD 5.26316
168 2DKH 3HB 5.26316
169 1MV8 NAD 5.26316
170 3F8D FAD 5.26316
171 1JG3 ADN 5.26316
172 5OJL TXP 5.26316
173 4OKE AMP 5.26316
174 2RC8 DSN 5.26316
175 1KJ8 GAR 5.26316
176 1SQF SAM 5.26316
177 1V6A TRE 5.26316
178 5ZI9 FLC 5.26316
179 1C3X 8IG 5.26316
180 1UP7 NAD 5.26316
181 4POO SAM 5.26316
182 1KEV NDP 5.26316
183 3BXF 13P 5.26316
184 3LKZ SFG 5.26316
185 4YT4 FE9 5.26316
186 4BG4 ARG 5.26316
187 1C3V NDP 5.26316
188 3H5N ATP 5.26316
189 1VJT NAD 5.26316
190 5FUB SAH 5.26316
191 1WOQ BGC 5.26316
192 4H2D FMN 5.26316
193 3V1U NAD 5.26316
194 5O3Q CMP 5.26316
195 3OZ2 FAD 5.28967
196 1HDR NAD 5.32787
197 5ZW3 SAH 5.33333
198 4DMG SAM 5.34351
199 1P0F NAP 5.36193
200 2PV7 NAD 5.36913
201 3KCC CMP 5.38462
202 6CEP NAD 5.38922
203 6CEP OXM 5.38922
204 3S5W FAD 5.39957
205 3S5W NAP 5.39957
206 1LDM NAD 5.47112
207 1R37 NAD 5.4755
208 5E4R NAP 5.5102
209 1O0S NAI 5.54529
210 5LOG SAH 5.5794
211 5N2I NAP 5.60345
212 3G89 SAM 5.62249
213 3ESS 18N 5.65217
214 4BVA NDP 5.67164
215 9LDT NAD 5.72289
216 9LDB NAD 5.72289
217 3DCM SAM 5.72917
218 1PZG A3D 5.74018
219 3BY9 SIN 5.76923
220 3NYC FAD 5.77428
221 3NYC IAR 5.77428
222 3GD4 NAD 5.87084
223 3GD4 FAD 5.87084
224 4BV6 FAD 5.88235
225 2A92 NAI 5.919
226 5TS5 FAD 5.99174
227 5BW4 SAM 5.99251
228 3BAZ NAP 6.00601
229 4ZVV NAD 6.0241
230 4ZVV GN0 6.0241
231 4TM3 FAD 6.09481
232 4IV9 FAD 6.09982
233 3LZW FAD 6.14035
234 2RGJ FAD 6.14035
235 1E1M FAD 6.14035
236 1E1M NAP 6.14035
237 5GSN MMZ 6.14035
238 5TTJ FAD 6.14035
239 2JB2 FAD 6.14035
240 2JB2 PHE 6.14035
241 2HK9 ATR 6.14035
242 1GPE FAD 6.14035
243 1PL6 NAD 6.14035
244 5YB7 FAD 6.14035
245 5YB7 ORN 6.14035
246 3LZW NAP 6.14035
247 5GSN FAD 6.14035
248 5GSN NAP 6.14035
249 1COY FAD 6.14035
250 1F8G NAD 6.14035
251 4XB2 NDP 6.14035
252 1CF2 NAP 6.14035
253 1I9G SAM 6.14035
254 4RSL FAD 6.14035
255 1L7E NAI 6.14035
256 2PWY SAH 6.14035
257 1SOW NAD 6.14035
258 2JJQ SAH 6.14035
259 2HK9 NAP 6.14035
260 3DMH SAM 6.14035
261 5XVH NAP 6.14035
262 1XDS SAM 6.14035
263 1PL6 572 6.14035
264 3DAG FEG 6.14035
265 4XB2 HSE 6.14035
266 3A06 NDP 6.14035
267 1COY AND 6.14035
268 3A1I UNU 6.14035
269 2Q28 ADP 6.14035
270 2V7B BEZ 6.14035
271 1OYY AGS 6.14035
272 4LWP SAH 6.14035
273 1GY8 NAD 6.14035
274 2ZFU SAH 6.14035
275 6DNT NAD 6.14035
276 3BF1 PAU 6.14035
277 4UCI SAM 6.14035
278 1GR0 NAD 6.14035
279 1E3I CXF 6.14035
280 5A1T NAI 6.14035
281 3AFH GSU 6.14035
282 3BBD SAH 6.14035
283 3GCZ SAM 6.14035
284 1HKU NAD 6.14525
285 5AYV NAP 6.14887
286 5AYV KPL 6.14887
287 3WLE NAD 6.15836
288 6GNA FAD 6.25
289 5X9D 80F 6.25
290 3CTY FAD 6.26959
291 1EBF NAD 6.28466
292 5K0A FAD 6.36364
293 2VAR AMP 6.38978
294 4CNK FAD 6.39386
295 6C5B SAH 6.45161
296 1KR3 113 6.46552
297 3K5I AIR 6.4695
298 3OFK SAH 6.48148
299 1RJW ETF 6.48968
300 4GKV NAD 6.54762
301 3AXB PRO 6.65434
302 3AXB FAD 6.65434
303 1H2B NAJ 6.68524
304 3GU3 SAH 6.69014
305 1NV8 MEQ 6.69014
306 1NV8 SAM 6.69014
307 1FWV SGA MAG FUC 6.71642
308 1XCL SAH 6.80851
309 1O5I NAD 6.82731
310 2C3W GLC GLC GLC GLC 6.86275
311 1KYQ NAD 6.93431
312 1NVT NAP 6.96864
313 2ZXI FAD 7.01754
314 2XVF FAD 7.01754
315 2Y6Q FAD 7.01754
316 5JWC FAD 7.01754
317 5EB4 FAD 7.01754
318 2XVE FAD 7.01754
319 3QVP FAD 7.01754
320 4Y9D NAI 7.01754
321 5G3U FDA 7.01754
322 5G3U ITW 7.01754
323 2JHP SAH 7.01754
324 2HJR APR 7.01754
325 1X87 NAD 7.01754
326 5ZBC FAD 7.01754
327 2Y6Q I7T 7.01754
328 6C4N NAP 7.01754
329 4KVL PLM 7.01754
330 5N6C NAD 7.01754
331 5LD5 NAD 7.01754
332 3ULK NDP 7.01754
333 1WP4 NDP 7.01754
334 1GPM CIT 7.01754
335 3ABI NAD 7.01754
336 4XDY NAI 7.01754
337 4KRI SAH 7.01754
338 2NU8 COA 7.01754
339 5Y8L HUI 7.01754
340 5Y8L NAD 7.01754
341 1NYT NAP 7.01754
342 5F8F SFG 7.01754
343 2HNK SAH 7.01754
344 2DC1 NAD 7.01754
345 2HIM ASN 7.01754
346 5KVA SAM 7.01754
347 1LOB MMA 7.01754
348 4XDY HIO 7.01754
349 1O8B ABF 7.01754
350 2CVZ NDP 7.01754
351 1YJQ NAP 7.01754
352 5WP4 SAH 7.01754
353 6BWL NAD 7.01754
354 4NOS ITU 7.01754
355 1EQ2 NAP 7.01754
356 3LM9 ADP 7.01754
357 1IM8 SAI 7.01754
358 2X6T NAP 7.01754
359 4ONQ SFG 7.01754
360 3TKY SAH 7.01754
361 2DT5 NAD 7.109
362 5DX0 SFG 7.16332
363 5DXA SFG 7.16332
364 5DX8 SFG 7.16332
365 5DX1 SFG 7.16332
366 4D04 NAP 7.20887
367 4D04 FAD 7.20887
368 2AG8 NAP 7.22433
369 1I0B PEL 7.22892
370 2RI1 GLP 7.23404
371 1JNR FAD 7.33333
372 3HYK A3P 7.37705
373 1RP0 AHZ 7.39437
374 1FL2 FAD 7.41935
375 3E1T FAD 7.42188
376 5D4V SAH 7.46269
377 2VYN NAD 7.55287
378 2EV9 NAP 7.60456
379 2EV9 SKM 7.60456
380 1L3I SAH 7.8125
381 3W6X HZP 7.86026
382 4XDZ NDP 7.87172
383 4USQ FAD 7.89474
384 5MBX SP5 7.89474
385 5MBX FAD 7.89474
386 1KNR FAD 7.89474
387 5WGR FAD 7.89474
388 3X0V FAD 7.89474
389 1NAA 6FA 7.89474
390 4HA6 FAD 7.89474
391 5MQ6 NDP 7.89474
392 2F1K NAP 7.89474
393 2AQJ TRP 7.89474
394 1NAA ABL 7.89474
395 2AQJ FAD 7.89474
396 4M37 SAH 7.89474
397 4DSG UDP 7.89474
398 4DSG FAD 7.89474
399 2JK0 ASP 7.89474
400 5Z20 NAI 7.89474
401 2PT9 S4M 7.89474
402 5DNK SAH 7.89474
403 4CJX NAP 7.89474
404 4TVD BGC 7.89474
405 5TG5 JW8 7.89474
406 2I7C AAT 7.89474
407 3TLJ SAH 7.89474
408 5HS2 CTP 7.89474
409 2AOT SAH 7.89474
410 6BII NAP 7.89474
411 3TTY GLA 7.89474
412 5AJU RP5 7.89474
413 6FDF SAH 7.89474
414 1ZGS XMM 7.89474
415 5AOV NAP 7.89474
416 2PT9 2MH 7.89474
417 1B8U NAD 7.89474
418 2V0C LEU LMS 7.89474
419 2DBZ NAP 7.89474
420 5O22 C3R 7.95848
421 3GGO NAI 7.96178
422 4TSK NDP 8
423 4GLL NAD 8.01187
424 5O4J PJL 8.0292
425 5O4J 9KH 8.0292
426 5O4J SAH 8.0292
427 1QAW TRP 8.10811
428 4JJF FE9 8.13953
429 1M5W DXP 8.23045
430 4IWN GEK 8.29694
431 2PXX SAH 8.37209
432 5W3K 9TY 8.52941
433 3U31 NAD 8.62069
434 6C4M NAP 8.64979
435 3WMX NAD 8.65922
436 4D79 ATP 8.69565
437 3WV8 ATP 8.7156
438 1PS9 FAD 8.77193
439 4FWE FAD 8.77193
440 1YY5 FAD 8.77193
441 1RSG FAD 8.77193
442 4GUT FAD 8.77193
443 4GUS FAD 8.77193
444 1GTE FAD 8.77193
445 4HSU FAD 8.77193
446 2WET FAD 8.77193
447 5FJN FAD 8.77193
448 5FJN BE2 8.77193
449 3FPZ AHZ 8.77193
450 4J36 FAD 8.77193
451 5OFW 9TW 8.77193
452 2OOR NAD 8.77193
453 4J36 1HR 8.77193
454 2R4J 13P 8.77193
455 2R4J FAD 8.77193
456 5N53 8NB 8.77193
457 3L9W AMP 8.77193
458 5JE8 NAD 8.77193
459 1PS9 NAP 8.77193
460 3L9W GSH 8.77193
461 1NM5 NAD 8.77193
462 4KOA NDP 8.77193
463 1QMG APX 8.77193
464 4EUE NAI 8.77193
465 2YIV YIV 8.77193
466 3LCC SAH 8.77193
467 1SC6 NAD 8.77193
468 1DL5 SAH 8.77193
469 4WAS COO 8.77193
470 2CUN 3PG 8.77193
471 6ECT SAM 8.77193
472 1PNO NAP 8.77193
473 6C8R SAH 8.77193
474 1TPY SAH 8.77193
475 2BOY BHO 8.77193
476 2OEM 1AE 8.77193
477 3TW1 AHN 8.77193
478 5KOX FAD 8.82353
479 5KOX RFP 8.82353
480 3NOJ PYR 8.82353
481 4W6Z 8ID 8.93372
482 6AA8 NAD 8.9404
483 2IXB NAD 9.00901
484 1P1C SAH 9.04523
485 1V8B NAD 9.1858
486 2YY7 NAD 9.29487
487 3NJ4 NAD 9.42529
488 2GMH FAD 9.42699
489 2ZIF SAM 9.42761
490 1GVF PGH 9.44056
491 5TWB FAD 9.64912
492 2B9W FAD 9.64912
493 5OC1 FAD 9.64912
494 4C3Y FAD 9.64912
495 1A5Z NAD 9.64912
496 5I39 FAD 9.64912
497 1BW9 NAD 9.64912
498 1OFL NGK GCD 9.64912
499 1C1X NAD 9.64912
500 4C3Y ANB 9.64912
501 2D2I NAP 9.64912
502 5NM7 GLY 9.64912
503 3MAG SAH 9.64912
504 3B20 NAD 9.64912
505 1BXG NAD 9.64912
506 1HDG NAD 9.64912
507 3MCT SAH 9.64912
508 1NPD NAD 9.64912
509 5X20 NAD 9.64912
510 4RQU NAD 9.64912
511 1VI2 NAD 9.64912
512 2F5X ASP 9.64912
513 5TC4 NAD 9.64912
514 1YKJ PHB 9.64912
515 1YKJ FAD 9.64912
516 4A59 AMP 9.64912
517 4BJZ P3A 9.64912
518 4BJZ FAD 9.64912
519 1BXG HCI 9.64912
520 5VJN IR8 9.64912
521 4OX5 DAL 9.64912
522 1VL0 NAI 9.64912
523 1G55 SAH 9.64912
524 2VHW NAI 9.64912
525 5I34 GDP 9.64912
526 3I9U DTU 9.64912
527 4J1Q NDP 9.64912
528 6ECU SAH 9.64912
529 4NBW NAD 9.64912
530 4D3F NAP 9.67742
531 4MCC 21X 9.7561
532 1D4O NAP 9.78261
533 1E3W NAD 9.96169
534 1LSS NAD 10
535 5TQZ GLC 10
536 3FVQ ATP 10.3064
537 1NVM NAD 10.4348
538 6GNC FAD 10.5263
539 2GAG NAD 10.5263
540 3AD8 NAD 10.5263
541 3GMB FAD 10.5263
542 3OJO NAD 10.5263
543 5HXI FAD 10.5263
544 5HXI 5HN 10.5263
545 3AD8 PYC 10.5263
546 3AD8 FAD 10.5263
547 2GAG FAD 10.5263
548 5UR0 NAD 10.5263
549 3SSO SAH 10.5263
550 2GAG FOA 10.5263
551 3DXY SAM 10.5263
552 5HSA FAS 10.5263
553 3GF4 FAD 10.5263
554 3GF4 UPG 10.5263
555 1O6Z NAD 10.5263
556 3CBG SAH 10.5263
557 1SAY PYR 10.5263
558 5E9W SAH 10.5263
559 1R18 SAH 10.5263
560 5E8J SAH 10.5263
561 6A3J NAI 10.5263
562 1CDO NAD 10.5263
563 2ZWI C5P 10.5263
564 3R51 MMA 10.5263
565 3I7S PYR 10.5263
566 1C3Q TZE 10.5263
567 4AF0 IMP 10.5263
568 4TQG NDP 10.5263
569 2DPM SAM 10.5263
570 1Z82 NDP 10.5263
571 5E72 SAM 10.5263
572 3A25 SAM 10.6312
573 4CQM NAP 10.6557
574 2XYQ SAH 10.6897
575 3HDY FAD 10.8312
576 3HDY FDA 10.8312
577 3HDY GDU 10.8312
578 3G5K BB2 10.929
579 1E6E FAD 10.9375
580 3A4T SFG 10.9489
581 2XVM SAH 11.0553
582 4USR FAD 11.0803
583 1V3S ATP 11.2069
584 3C1O NAP 11.215
585 5WA0 MSS 11.2329
586 3AB1 FAD 11.4035
587 1VDC FAD 11.4035
588 4YRY NAD 11.4035
589 4YRY FAD 11.4035
590 2CUL FAD 11.4035
591 4YSX FAD 11.4035
592 5TUK FAD 11.4035
593 4OPC PGT 11.4035
594 4OPC FDA 11.4035
595 2E5V FAD 11.4035
596 4YNU LGC 11.4035
597 4YNU FAD 11.4035
598 3WGT QSC 11.4035
599 3WGT FAD 11.4035
600 1I8T FAD 11.4035
601 1GV0 NAD 11.4035
602 3FUU ADN 11.4035
603 1OMO NAD 11.4035
604 1ELI PYC 11.4035
605 6HKE MLT 11.4035
606 2YYY NAP 11.4035
607 4N49 SAM 11.4035
608 6FOG OXL 11.4035
609 1DIG NAP 11.4035
610 6HKE LMR 11.4035
611 2FB3 MET 11.4035
612 3CV2 OXL 11.4035
613 5YF1 SFG 11.4035
614 4YAG NAI 11.4035
615 2FK8 SAM 11.6352
616 4D7E FAD 11.8299
617 4QTU SAM 11.8519
618 4MO2 FAD 11.9565
619 4MO2 FDA 11.9565
620 3GRU AMP 12.2034
621 1EJ0 SAM 12.2222
622 4YCA NDP 12.2449
623 1H82 FAD 12.2807
624 1H82 GZZ 12.2807
625 5UAO FAD 12.2807
626 4U8P FDA 12.2807
627 4U8P UDP 12.2807
628 4II2 ATP 12.2807
629 4AP3 NAP 12.2807
630 4AP3 FAD 12.2807
631 1Y8Q ATP 12.2807
632 4RDH AMP 12.2807
633 4OM8 NAD 12.2807
634 4RDI ATP 12.2807
635 2VDV SAM 12.2807
636 3X0D SAH 12.2807
637 5A1S FLC 12.2807
638 1GZ4 ATP 12.2807
639 1KOL NAD 12.2807
640 1JQ3 AAT 12.2807
641 2EJU SAH 12.2807
642 1ZEM NAD 12.2807
643 1QAN SAH 12.2807
644 4BI7 PGA 12.2807
645 3LU1 NAD 12.2807
646 1KYZ SAH 12.2807
647 1Q0S SAH 12.2807
648 1YP4 ADP 12.2807
649 5NUF NAD 12.3494
650 5NUE NAD 12.3494
651 3UOY FAD 12.3845
652 3UOY NAP 12.3845
653 5NII FAD 12.6214
654 4JNA FAD 12.6471
655 5H81 NAP 12.8535
656 3MB5 SAM 12.9412
657 5NMX FAD 13.1579
658 5X68 FAD 13.1579
659 3GDN HBX 13.1579
660 3GDN FAD 13.1579
661 5NMX NAP 13.1579
662 1J49 NAD 13.1579
663 3A27 SAM 13.1579
664 3VYW SAM 13.1579
665 1GAD NAD 13.1579
666 5AHO TLA 13.1579
667 1WQ1 GDP 13.1579
668 3F81 STT 13.1579
669 4PLG NAI 13.1579
670 4PLG OXM 13.1579
671 1YBH P22 13.1579
672 3ORF NAD 13.1579
673 3Q2K HP7 13.1579
674 5ZI2 NAD 13.1579
675 4E03 ADP 13.1579
676 5ZI2 ADP 13.1579
677 3QMN A3P 13.1783
678 2QA1 FAD 13.2
679 2QQC AG2 13.2075
680 3L4S NAD 13.3929
681 3L4S 3PG 13.3929
682 3QV1 NAD 13.4146
683 2NPX FAD 13.4228
684 2NPX NAD 13.4228
685 4DCM SAM 13.6
686 5HP8 PYR 13.7097
687 5BRT FAD 13.8632
688 5BRT CH9 13.8632
689 1XHC FAD 13.8965
690 3H8V ATP 14.0351
691 3ZNN 4WL 14.0351
692 3ZNN FAD 14.0351
693 4MIG G3F 14.0351
694 6H3O FAD 14.0351
695 5WP5 SAH 14.0351
696 6C4T NA7 14.0351
697 4OBW SAM 14.0351
698 1TL2 NDG 14.0351
699 2A9W GA9 14.0351
700 3HQP OXL 14.0351
701 4O0L NDP 14.0351
702 3HQP FDP 14.0351
703 4MP8 MLI 14.0351
704 4MP8 NAD 14.0351
705 4YKG NAD 14.9123
706 4YKG FAD 14.9123
707 2YG3 FAD 14.9123
708 2VT3 ATP 14.9123
709 4MOP 2H5 14.9123
710 1GUZ NAD 14.9123
711 4C4A SAH 14.9123
712 1LUA NAP 14.9123
713 3T4L ZEA 14.9123
714 3KB6 NAD 14.9123
715 1WG8 SAM 14.9123
716 1DJL NAP 14.9123
717 1VKO NAD 14.9123
718 1UJ5 5RP 14.9123
719 3C6K SPD 14.9123
720 1KPG SAH 14.9123
721 1L1E SAH 14.9123
722 4R5M NAP 14.9123
723 1KPH SAH 14.9123
724 3C6K MTA 14.9123
725 2BGM NAJ 14.9123
726 1N13 AG2 15.0442
727 3W9K MYR 15.1079
728 2QQD AG2 15.1786
729 2HMT NAI 15.2778
730 4NTO 1PW 15.4589
731 5J60 FAD 15.7895
732 1P77 ATR 15.7895
733 5L95 AMP 15.7895
734 2OG2 MLI 15.7895
735 3B9Q MLI 15.7895
736 5X62 SAH 15.7895
737 6EL3 NAP 15.7895
738 1QRD DQN 15.7895
739 5MGZ SAH 15.7895
740 3JUC PCA 15.7895
741 5GZ9 MAN 15.7895
742 2PK3 A2R 15.7895
743 1FP2 SAH 15.7895
744 3CGB FAD 15.8333
745 3QJ4 FAD 16.0819
746 5N0J FAD 16.2393
747 3CGD NAD 16.25
748 3CGD COA 16.25
749 3CGD FAD 16.25
750 1EZ4 NAD 16.3522
751 3LXD FAD 16.6265
752 3K7M FAD 16.6667
753 2RGH FAD 16.6667
754 1WDK NAD 16.6667
755 3T31 FAD 16.6667
756 3T31 DCQ 16.6667
757 1J0X NAD 16.6667
758 4NAE 1GP 16.6667
759 5EIN NAP 16.6667
760 5ZZ6 ADP 16.8269
761 5ZZ6 NAD 16.8269
762 6AIN FAD 16.9856
763 1YQZ FAD 17.3516
764 1C0I BE2 17.5439
765 1C0I FAD 17.5439
766 5ERG SAM 17.5439
767 1LDN NAD 17.5439
768 5GZ6 NDP 17.5439
769 2EFJ SAH 17.5439
770 1LJ8 NAD 17.5439
771 5GZ6 7C3 17.5439
772 5KOK SAH 17.5439
773 3VSE SAH 17.5439
774 1M2W NAD 17.5439
775 1VM6 NAD 17.5439
776 4KQ6 DLZ 17.5439
777 6D6Y SAH 17.5439
778 4PX9 ADP 17.5439
779 6F5Z SAH 18.0328
780 4GQB 0XU 18.1818
781 1QO8 FAD 18.4211
782 5BVA FAD 18.4211
783 2Z3Y F2N 18.4211
784 2RGO FAD 18.4211
785 1RYI GOA 18.4211
786 1RYI FAD 18.4211
787 4AT0 FAD 18.4211
788 2GND MAN 18.4211
789 1Q8P MAN MMA 18.4211
790 2PHU MAN MAN 18.4211
791 2AUY NAG MAN MMA 18.4211
792 2PHR MAN MAN BMA MAN 18.4211
793 2PHF MAN MAN BMA MAN 18.4211
794 1Q8O MAN MMA 18.4211
795 2PHF MAN MAN 18.4211
796 1Q8V MAN MAN 18.4211
797 2PHW MAN MAN 18.4211
798 2PHR MAN MAN 18.4211
799 2GND MAN MMA 18.4211
800 2AR6 NAG MAN 18.4211
801 2PHT MAN MAN MAN BMA MAN 18.4211
802 2PHT MAN MAN MAN 18.4211
803 6F3M NAD 18.4211
804 2AR6 NAG MAN MAN MAN NAG 18.4211
805 2GNB MAN 18.4211
806 2GMP NAG MAN 18.4211
807 2GN3 MMA 18.4211
808 4MDH NAD 18.4211
809 2GNM MAN 18.4211
810 2GN3 MAN 18.4211
811 3SAO DBH 18.75
812 5C2N NAG 18.75
813 3FG2 FAD 18.8119
814 2YVF NAD 18.8725
815 2YVF FAD 18.8725
816 2YVJ FAD 18.8725
817 2YVJ NAI 18.8725
818 1VL1 CIT 18.9655
819 4EMI FAD 19.0244
820 4EMJ FAD 19.0244
821 4EMI NAD 19.0244
822 3ICT ADP 19.0388
823 3ICS ADP 19.0388
824 3ICS FAD 19.0388
825 3ICR FAD 19.0388
826 3ICT FAD 19.0388
827 4M38 SAH 19.0476
828 1D4D FAD 19.2982
829 4B4U NAP 19.2982
830 5CAE COA 19.2982
831 2O4C NAD 19.2982
832 6ACS CIT 19.2982
833 1WVG APR 19.2982
834 3WBF NAP 19.2982
835 4LNU GDP 19.2982
836 3RYC GDP 19.2982
837 3C8F MT2 19.5918
838 5FA5 MTA 20
839 5JCA FAD 20.1754
840 5ZYN FAD 20.1754
841 3UCL NAP 20.1754
842 3UCL FAD 20.1754
843 3UCL CYH 20.1754
844 1O94 ADP 20.1754
845 5JCA NDP 20.1754
846 1DJN ADP 20.1754
847 2DFV NAD 20.1754
848 6ER9 FAD 20.1754
849 6ER9 NAP 20.1754
850 1BXK NAD 20.1754
851 1OBB NAD 20.1754
852 5BSH PRO 20.2166
853 5YEC ATP 21.0084
854 5ODQ FAD 21.0526
855 4Z24 FAD 21.0526
856 5ODQ 9SB 21.0526
857 5U5N NAD 21.0526
858 5NA1 FAD 21.0784
859 3KLJ FAD 21.2987
860 1VQW FAD 21.9298
861 2GV8 FAD 21.9298
862 2GVC FAD 21.9298
863 2GV8 NDP 21.9298
864 4RPL FAD 21.9298
865 4RPL 3UC 21.9298
866 2NXE SAM 21.9298
867 2EG5 SAH 21.9298
868 5BU2 ADP 21.9298
869 5JCM FAD 22.807
870 5JCM ISD 22.807
871 5JCM NAD 22.807
872 5U19 827 22.807
873 5U19 SAH 22.807
874 1JAY NAP 23.1132
875 5KMS FAD 23.4568
876 5KMS NAD 23.4568
877 5Z75 NAD 23.5474
878 2V6G NAP 23.6842
879 1D1T NAD 23.6842
880 4XZ3 COA 23.6842
881 2PHN GDP 23.6842
882 2CDU ADP 24.3363
883 2CDU FAD 24.3363
884 5J7X FAD 24.5614
885 4NBU NAI 24.5614
886 2GUD MAN 24.5902
887 2GUC MAN 24.5902
888 2QV7 ADP 25.2226
889 1TDF NAP 25.4386
890 1TDF FAD 25.4386
891 3G2O SAM 25.4386
892 1F8F NAD 25.4386
893 1DLJ NAI 25.4386
894 2O07 MTA 26.3158
895 1YS4 NAP 26.3158
896 2O07 SPD 26.3158
897 5THZ SAH 26.3158
898 2VOH CIT 26.9231
899 5W6Y TRP 27.193
900 2YX1 SFG 27.193
901 1N2X SAM 27.193
902 1Z45 NAD 27.193
903 5VN0 FAD 27.9923
904 5VN0 NAI 27.9923
905 3B1J NAD 28
906 1X14 NAD 28.0702
907 4KIB SAH 28.0702
908 5YRL GLC GLC 28.169
909 5YRF GLC GLC 28.169
910 1Q1R FAD 28.7703
911 1LTH NAD 29.8246
912 4L8V NAP 30.7018
913 1ZH8 NAP 30.7018
914 3PT9 SAH 31.5789
915 2HHP FLC 32.4561
916 1MO9 KPC 32.8872
917 1MO9 FAD 32.8872
918 5O0Z 9GB 33.3333
919 6GAS FAD 39.2749
920 4NTD FAD 39.4118
921 6GAR FAD 41.2607
922 4NTC FAD 41.4925
923 4JDR FAD 42.616
924 2A8X FAD 43.319
925 5U8U FAD 43.4511
926 1ZK7 FAD 43.8972
927 4M52 FAD 43.9914
928 4M52 M52 43.9914
929 2BTO GTP 44.4444
930 1LVL FAD 44.5415
931 1LVL NAD 44.5415
932 3LAD FAD 44.7479
933 5J5Z FAD 46.1694
934 1V59 FAD 46.2343
935 1V59 NAD 46.2343
936 3RNM FAD 46.4646
937 2F5Z FAD 48.5232
938 2WPF WPF 48.6869
939 2WPF FAD 48.6869
940 1BZL FAD 49.5885
941 1BZL GCG 49.5885
Pocket No.: 2; Query (leader) PDB : 4J56; Ligand: FAD; Similar sites found with APoc: 59
This union binding pocket(no: 2) in the query (biounit: 4j56.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 5LJW ANP 2.63158
2 1ZBQ NAD 3.36391
3 2NGR GDP 3.4188
4 1KGZ PRP 3.50877
5 1ONI BEZ 3.62319
6 1QX4 FAD 4.0146
7 2ZL4 ALA ALA ALA ALA 4.08163
8 4C2G ALA ALA ALA ALA 4.38596
9 5OVL NAP 4.38596
10 4J4H NAI 4.38596
11 3KP6 SAL 4.63576
12 4N14 WR7 4.77707
13 3UC5 ATP 5.09554
14 2EFX NFA 5.26316
15 3GD8 GOL 5.38117
16 2FWP CIT 5.46448
17 4ARE FLC 6.14035
18 3LL5 IP8 6.14035
19 4G05 JZ3 6.14035
20 3FIU POP 6.4257
21 3KYG 5GP 5GP 6.60793
22 3NB0 G6P 7.01754
23 3EXH TPP 7.01754
24 1LYX PGA 7.25806
25 4XGX ADP 7.64706
26 1PFK ADP 7.89474
27 6APL C5P 7.89474
28 6F9Q NAD 7.89474
29 5W7M SAH 8.01282
30 1SW0 PGA 8.46774
31 2E2P ADP 8.77193
32 1U3G ADP 8.77193
33 4NEC SAH 8.77193
34 1VE3 SAM 9.2511
35 4RKS MEV 9.49555
36 1JXN MFU 9.91736
37 4JZ8 CIT 10.7256
38 5AOA PPI 11.4035
39 1F76 ORO 12.2807
40 1VBO MAN MAN MAN 12.7517
41 5W7K SAH 12.8205
42 3AB4 LYS 12.9213
43 3GWZ SAH 13.1579
44 3KJQ B94 13.6842
45 1US5 GLU 14.0351
46 1OYJ GSH 14.0351
47 1O5E 132 14.0351
48 5L3R GCP 15.7895
49 3KIH GDL 16.4948
50 1UKG MMA 18.4211
51 1Q8S MAN MMA 18.4211
52 1Q8Q MAN MMA 18.4211
53 2PHX MAN MAN 18.4211
54 2F6U CIT 20.1754
55 2FPU HSO 20.1754
56 1VRP ADP 20.1754
57 5AHN IMP 21.0526
58 2D0O ADP 22.807
59 5BJX NAD 23.6842
Pocket No.: 3; Query (leader) PDB : 4J56; Ligand: FAD; Similar sites found with APoc: 42
This union binding pocket(no: 3) in the query (biounit: 4j56.bio2) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 5M67 NAD 3.13152
2 5M67 3D1 3.13152
3 1RVV INI 3.24675
4 4RQL SNE 3.50877
5 1V9A SAH 4.1841
6 4XG0 CIT 4.21546
7 1FDJ 13P 4.38596
8 1FP1 SAH 4.38596
9 1NF8 ISC 4.83092
10 3KMT SAH 5.04202
11 1FIW PBZ 5.26316
12 3BXO SAM 5.43933
13 2FWP ICR 5.46448
14 5URY PAM 5.47945
15 5EYY MDM 6.14035
16 1HXD BTN 6.14035
17 1CT9 GLN 6.14035
18 2IYF UDP 6.14035
19 2OAT PFM 6.14035
20 5Y5Q DUT 6.14035
21 6ALW BMJ 6.14035
22 1WB4 SXX 7.01754
23 1N1G BCP 7.01754
24 5AHM IMP 7.89474
25 1RL4 BRR 8.51064
26 5MTE BB2 8.75912
27 4IMG NGF 9.21502
28 2BQP GLC 9.64912
29 1C1D PHE 9.64912
30 2WA2 SAM 9.64912
31 2YAJ 4HP 10.4651
32 4ZH7 FUC GAL NAG GAL FUC 10.5263
33 5C9P FUC 11.4035
34 1SNN 5RP 13.1579
35 3CL7 HYN 13.6364
36 4AF5 CIT 15.7895
37 4AZW SAM 17.5439
38 3FPF MTA 17.5439
39 3FPF TNA 17.5439
40 5EYW PGA 18.4211
41 4R8L ASP 18.4211
42 5BJX