Receptor
PDB id Resolution Class Description Source Keywords
3QFA 2.2 Å EC: 1.8.1.9 CRYSTAL STRUCTURE OF THE HUMAN THIOREDOXIN REDUCTASE-THIORED COMPLEX HOMO SAPIENS PROTEIN-PROTEIN COMPLEX ROSSMANN FOLD THIOREDOXIN FOLD HOPYRIDINE NUCLEOTIDE DISULFIDE OXIDOREDUCTASE ELECTRON TRANOXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE HUMAN THIOREDOXIN REDUCTASE-THIOREDOXIN COMPLEX NAT COMMUN V. 2 383 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:600;
B:600;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GOL A:801;
A:802;
A:803;
A:804;
B:804;
D:803;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QFA 2.2 Å EC: 1.8.1.9 CRYSTAL STRUCTURE OF THE HUMAN THIOREDOXIN REDUCTASE-THIORED COMPLEX HOMO SAPIENS PROTEIN-PROTEIN COMPLEX ROSSMANN FOLD THIOREDOXIN FOLD HOPYRIDINE NUCLEOTIDE DISULFIDE OXIDOREDUCTASE ELECTRON TRANOXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE HUMAN THIOREDOXIN REDUCTASE-THIOREDOXIN COMPLEX NAT COMMUN V. 2 383 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3QFA - 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 7 families.
1 3QFA - 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: 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 : 3QFA; Ligand: FAD; Similar sites found: 407
This union binding pocket(no: 1) in the query (biounit: 3qfa.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5U5G NAP 0.002184 0.42403 1.69492
2 5U5G 7VD 0.04193 0.41444 1.69492
3 3NYC FAD 0.000002098 0.50551 1.72414
4 3NYC IAR 0.000002098 0.46295 1.72414
5 3G6M CFF 0.038 0.4187 2.58621
6 3NJ4 NAD 0.007558 0.41239 2.58621
7 3NJ4 AFX 0.01522 0.40069 2.58621
8 2F1K NAP 0.00005313 0.40234 2.86738
9 4USR FAD 0.000000008527 0.53754 2.89017
10 4ZCC FAD 0.0000004326 0.48439 3.08285
11 4ZCC NAI 0.0000004326 0.48439 3.08285
12 5DXA SFG 0.008462 0.41296 3.4384
13 5DX8 SFG 0.01028 0.40926 3.4384
14 1MV8 NAD 0.00004759 0.40246 3.44037
15 5BUK FAD 0.0000000164 0.5684 3.44828
16 2B9W FAD 0.0000003877 0.53543 3.44828
17 4BJZ P3A 0.000001139 0.53238 3.44828
18 3UCL NAP 0.0000012 0.52972 3.44828
19 3UCL CYH 0.00000112 0.5279 3.44828
20 3UCL FAD 0.00000112 0.5279 3.44828
21 2R4J 13P 0.0000007619 0.52175 3.44828
22 2R4J FAD 0.0000007619 0.52175 3.44828
23 3OND ADN 0.002069 0.4006 3.48361
24 3OND NAD 0.002069 0.4006 3.48361
25 2IXB NAD 0.0007498 0.43691 3.82883
26 2IXB A2G 0.002031 0.40403 3.82883
27 4J4H NAI 0.01923 0.40573 3.861
28 4J4H 1J1 0.01128 0.40051 3.861
29 1J0X NAD 0.001638 0.40023 3.91566
30 2I3G NAP 0.003554 0.41061 3.97727
31 3FPZ AHZ 0.002329 0.44711 3.98773
32 4BV6 FAD 0.0000000004255 0.61355 4.31034
33 5WGR FAD 0.0000002102 0.53588 4.31034
34 4REP FAD 0.00000007843 0.53255 4.31034
35 4D04 NAP 0.000005246 0.50231 4.31034
36 3WGT FAD 0.000003293 0.49522 4.31034
37 3WGT QSC 0.000003634 0.49499 4.31034
38 1Q9I FAD 0.00000006014 0.48685 4.31034
39 1Q9I TEO 0.00000006014 0.48685 4.31034
40 4K28 NAD 0.0001691 0.4794 4.31034
41 3U31 NAD 0.002259 0.44133 4.31034
42 1EJ4 M7G 0.03763 0.42552 4.31034
43 4U8P FDA 0.000002008 0.42352 4.31034
44 4D04 FAD 0.000005246 0.41964 4.31034
45 4U8P UDP 0.000002259 0.41751 4.31034
46 2CBZ ATP 0.04733 0.40786 4.31034
47 1KNR FAD 0.0000002921 0.5173 4.4316
48 1I8T FAD 0.000001882 0.48861 4.4316
49 3GD4 NAD 0.000000002143 0.63335 4.50098
50 3GD4 FAD 0.000000001811 0.61885 4.50098
51 2IVD FAD 0.00000002397 0.53861 4.60251
52 5APG EEM 0.0198 0.40189 4.81696
53 5TS5 FAD 0.00000002652 0.56231 5.17241
54 1RSG FAD 0.00000002139 0.56128 5.17241
55 5TTJ FAD 0.00000009612 0.55154 5.17241
56 1RYI FAD 0.0000004342 0.51487 5.17241
57 2GV8 FAD 0.000000182 0.50116 5.17241
58 2GVC FAD 0.0000001508 0.49949 5.17241
59 1VQW FAD 0.0000001815 0.49673 5.17241
60 2IID PHE 0.0000001522 0.48467 5.17241
61 2IID FAD 0.0000001522 0.48467 5.17241
62 3GFB NAD 0.001203 0.43733 5.17241
63 4CJX NAP 0.003199 0.42551 5.17241
64 1VKO NAD 0.003068 0.41071 5.17241
65 2JJQ SAH 0.01264 0.42687 5.17647
66 5MZI FAD 0.000001561 0.44127 5.20607
67 5MZI FYK 0.000001672 0.43746 5.20607
68 2XVF FAD 0.0000001831 0.513 5.58767
69 2EV9 SKM 0.002669 0.41303 5.70342
70 2XVE FAD 0.000001405 0.5204 5.78035
71 4YDU ADP 0.01884 0.40023 5.90717
72 5EOW FAD 0.00000002354 0.52674 5.92593
73 5EVY FAD 0.000004754 0.55497 5.93607
74 4ZFL 4NK 0.009541 0.41345 5.98291
75 5VN0 FAD 0.0000000003217 0.64251 5.98456
76 5VN0 NAI 0.00000002394 0.49049 5.98456
77 3FZG SAM 0.03081 0.40418 6
78 2X3N FAD 0.00000006653 0.5255 6.01504
79 1PS9 FAD 0.000000001174 0.59933 6.03448
80 4TXI FAD 0.00000008808 0.58468 6.03448
81 1H82 GZZ 0.0000001064 0.56077 6.03448
82 4USQ FAD 0.000000002198 0.55966 6.03448
83 3G5S FAD 0.00000001362 0.54774 6.03448
84 2E5V FAD 0.0000002172 0.52939 6.03448
85 4IV9 FAD 0.0000001329 0.52868 6.03448
86 4K5S FAD 0.00000005733 0.50992 6.03448
87 4K5S PM0 0.000001353 0.50956 6.03448
88 3GMB FAD 0.0000001221 0.50557 6.03448
89 4D79 ATP 0.0001872 0.50294 6.03448
90 1H82 FAD 0.00000007181 0.48977 6.03448
91 5MQ6 NDP 0.0002854 0.47731 6.03448
92 5J6Y BGC 0.009188 0.4481 6.03448
93 5J6Y GLC 0.009188 0.4481 6.03448
94 1B74 DGN 0.02008 0.42573 6.03448
95 4DZ1 DAL 0.03422 0.41831 6.03448
96 4U60 SIA GAL NGA 0.04553 0.40596 6.03448
97 1HYH NAD 0.0001887 0.40128 6.03448
98 1UWK NAD 0.00189 0.40009 6.03448
99 1UWK URO 0.00189 0.40009 6.03448
100 3E1T FAD 0.000000005319 0.58306 6.25
101 5OFW 9TW 0.001623 0.49389 6.27803
102 3BAZ NAP 0.005689 0.41494 6.30631
103 4TM3 FAD 0.00000646 0.50366 6.35838
104 5F8F SFG 0.01668 0.41738 6.36605
105 4XDY NAI 0.0008781 0.44601 6.50888
106 5TUK FAD 0.0000006407 0.5709 6.55106
107 5TUF FAD 0.0000002648 0.56637 6.55106
108 5TUF TDC 0.000002863 0.43511 6.55106
109 4NTC FAD 0.000000001159 0.59924 6.89655
110 3T31 DCQ 0.00000002581 0.57742 6.89655
111 3T31 FAD 0.00000002171 0.57742 6.89655
112 1QO8 FAD 0.00000001389 0.5675 6.89655
113 2YG3 FAD 0.00000001213 0.56268 6.89655
114 3AYI HCI 0.000000105 0.55255 6.89655
115 3AYI FAD 0.00000009622 0.55255 6.89655
116 2WET FAD 0.00000008208 0.53864 6.89655
117 2RGJ FAD 0.00000002089 0.52381 6.89655
118 4DSG UDP 0.000003548 0.50632 6.89655
119 4RSL FAD 0.000007817 0.49545 6.89655
120 3GF4 UPG 0.000006806 0.49444 6.89655
121 2RGO FAD 0.0000008688 0.49256 6.89655
122 3IHG FAD 0.00000006199 0.49224 6.89655
123 3GF4 FAD 0.000007396 0.49008 6.89655
124 5JE8 NAD 0.0003157 0.46796 6.89655
125 5FA5 MTA 0.001891 0.46385 6.89655
126 4YMH SAH 0.003254 0.43756 6.89655
127 4DSG FAD 0.000003548 0.43263 6.89655
128 1EQ2 NAP 0.001502 0.43057 6.89655
129 1CF2 NAP 0.0000307 0.40858 6.89655
130 4NVP 7CH 0.03158 0.40678 6.89655
131 1V8B NAD 0.0003705 0.40519 6.89655
132 1Z82 NDP 0.00791 0.40391 6.89655
133 3B9Q MLI 0.0169 0.42543 6.93642
134 4RDH AMP 0.0001441 0.51862 6.94444
135 5BR7 FAD 0.00000234 0.43408 7.12468
136 5BR7 FLC 0.000003999 0.42796 7.12468
137 4YCA NDP 0.0001057 0.48415 7.14286
138 3HAD NAD 0.002047 0.40165 7.14286
139 2UZ1 TPP 0.01234 0.4007 7.28242
140 1KPG SAH 0.003624 0.4322 7.31707
141 1NAA ABL 0.000005295 0.494 7.32177
142 1NAA 6FA 0.000003695 0.4884 7.32177
143 5N18 8HZ 0.03706 0.41646 7.33945
144 4FWE FAD 0.000000008686 0.57597 7.75862
145 4OPC PGT 0.0000003015 0.57555 7.75862
146 4OPC FDA 0.0000002301 0.57499 7.75862
147 4GUS FAD 0.00000001224 0.57265 7.75862
148 4GUT FAD 0.00000001622 0.57172 7.75862
149 4HSU FAD 0.00000003482 0.55747 7.75862
150 4YNU LGC 0.0000002066 0.53724 7.75862
151 4YNU FAD 0.0000001702 0.53442 7.75862
152 5EZ7 FAD 0.0000009025 0.51791 7.75862
153 3UOY NAP 0.00000246 0.51769 7.75862
154 4MIG G3F 0.000001398 0.50907 7.75862
155 4AP3 NAP 0.000003222 0.50778 7.75862
156 1RP0 AHZ 0.00000005139 0.50727 7.75862
157 5HSA FAS 0.000001795 0.50075 7.75862
158 2Y6Q I7T 0.000003159 0.49458 7.75862
159 2Y6Q FAD 0.0000002062 0.48998 7.75862
160 5LD5 NAD 0.0004103 0.47043 7.75862
161 3DMH SAM 0.002095 0.44623 7.75862
162 4AP3 FAD 0.000003222 0.43152 7.75862
163 3UOY FAD 0.00000246 0.41798 7.75862
164 3DMH GMP 0.004245 0.41497 7.75862
165 2BH9 NAP 0.03373 0.40222 7.75862
166 2C7G FAD 0.0000001212 0.5529 7.89474
167 2C7G ODP 0.0000002272 0.54225 7.89474
168 4J36 FAD 0.000000121 0.50316 7.89981
169 4J36 1HR 0.000001539 0.50107 7.89981
170 3S5W FAD 0.000000252 0.48411 7.89981
171 4NEC SAH 0.03172 0.40355 7.95455
172 4EIP K2C 0.0000004249 0.52394 8.09249
173 4EIP FAD 0.0000004249 0.49813 8.09249
174 5X62 SAH 0.002054 0.45794 8.12808
175 4EMI NAD 0.000000002666 0.61565 8.29268
176 4EMI FAD 0.0000000004945 0.59893 8.29268
177 5AYV KPL 0.0002685 0.40671 8.41424
178 3FG2 FAD 0.0000000001675 0.58781 8.41584
179 2YLN CYS 0.02518 0.4282 8.48057
180 1GTE FAD 0.00000002725 0.58032 8.62069
181 1E1M FAD 0.0000001262 0.54979 8.62069
182 1E1M NAP 0.0000001262 0.54979 8.62069
183 3QJ4 FAD 0.0000002063 0.54407 8.62069
184 1E6E FAD 0.00000002444 0.53862 8.62069
185 2VVM FAD 0.0000001309 0.52922 8.62069
186 2VVL FAD 0.0000002152 0.52523 8.62069
187 5FJN BE2 0.0000003556 0.52515 8.62069
188 5FJN FAD 0.0000003918 0.51938 8.62069
189 2BRY FAD 0.00000005889 0.51084 8.62069
190 2VDV SAM 0.002755 0.46008 8.62069
191 5HS2 CTP 0.01329 0.42226 8.62069
192 1DL5 SAH 0.003378 0.42172 8.62069
193 1D1T NAD 0.002518 0.41895 8.62069
194 3TLJ SAH 0.01156 0.40973 8.62069
195 3L9W AMP 0.0001197 0.40427 8.62069
196 1MUU NAD 0.00005287 0.40099 8.62069
197 5JJR SAH 0.02724 0.40092 8.62069
198 4X9M FAD 0.0000001847 0.5378 8.67052
199 5HJM MTA 0.01054 0.41736 8.67052
200 5L95 AMP 0.0004013 0.48296 8.75
201 3OFK SAH 0.00952 0.41349 8.7963
202 4JNA FAD 0.000000002024 0.59525 8.8632
203 2VOH CIT 0.01955 0.43521 8.9172
204 1YY5 FAD 0.000000007579 0.57961 9.05588
205 2FK8 SAM 0.00495 0.42929 9.24856
206 4ZRN NAD 0.001645 0.41621 9.29487
207 4EMJ FAD 0.0000000009992 0.59349 9.34579
208 4Z24 FAD 0.0000002928 0.52358 9.35583
209 4AT0 FAD 0.000004283 0.49136 9.41177
210 1REO FAD 0.00000004887 0.53955 9.48276
211 2JB2 FAD 0.0000002542 0.53694 9.48276
212 5I39 FAD 0.0000005174 0.53007 9.48276
213 2JB2 PHE 0.0000003134 0.52997 9.48276
214 5J7X FAD 0.0000007273 0.52489 9.48276
215 3GDN HBX 0.000001113 0.51491 9.48276
216 3GDN FAD 0.0000006992 0.51103 9.48276
217 5EB4 FAD 0.0000005518 0.5083 9.48276
218 3HDY FDA 0.000004818 0.50264 9.48276
219 3HDY GDU 0.000005132 0.50264 9.48276
220 3HDY FAD 0.000005074 0.50186 9.48276
221 1HDG NAD 0.0003217 0.46761 9.48276
222 1ELI PYC 0.00001262 0.45794 9.48276
223 1HKU NAD 0.0005454 0.44229 9.48276
224 3JV7 NAD 0.001545 0.42735 9.48276
225 5KOK SAH 0.006896 0.4259 9.48276
226 4ZEV M6P 0.01687 0.42057 9.48276
227 5UAV NDP 0.0003301 0.40692 9.62733
228 5UAV TFB 0.0003301 0.40692 9.62733
229 3LST SAH 0.04753 0.40083 9.77011
230 5JWC FAD 0.000000001278 0.6376 10.3448
231 3NTA FAD 0.000000000347 0.6039 10.3448
232 3NT6 FAD 0.0000000004624 0.60027 10.3448
233 5BVA FAD 0.000000007112 0.56476 10.3448
234 3K7M FAD 0.0000001007 0.55316 10.3448
235 3WE0 FAD 0.0000005749 0.51531 10.3448
236 1UXG NAD 0.0002824 0.41478 10.356
237 5GZ6 NDP 0.006054 0.42533 10.7362
238 5GZ6 7C3 0.009897 0.40997 10.7362
239 2NXE SAM 0.00403 0.4402 11.0236
240 4C3Y FAD 0.000002995 0.48743 11.1753
241 4C3Y ANB 0.000007142 0.48265 11.1753
242 2QA1 FAD 0.00000002197 0.59236 11.2069
243 2GMH FAD 0.00000001579 0.56989 11.2069
244 5MBX FAD 0.0000002373 0.5416 11.2069
245 5MBX SP5 0.0000002373 0.5416 11.2069
246 2DKH FAD 0.00000006974 0.51107 11.2069
247 2DKH 3HB 0.0000006651 0.50204 11.2069
248 3AXB PRO 0.000004799 0.48328 11.2069
249 3AXB FAD 0.00000191 0.48094 11.2069
250 2VHW NAI 0.00006512 0.42754 11.2069
251 4XG0 CIT 0.02897 0.42441 11.2069
252 1XDS SAM 0.01645 0.42112 11.2069
253 1HE1 AF3 0.03141 0.4208 11.2069
254 4XFR CIT 0.03357 0.41701 11.2069
255 4NAE 1GP 0.04695 0.4153 11.2069
256 1G55 SAH 0.01293 0.41325 11.2069
257 3VPH NAD 0.0001454 0.41071 11.2069
258 3VPH OXM 0.0002632 0.40801 11.2069
259 5AOA PPI 0.03495 0.40307 11.2069
260 2CDU FAD 0.00000000146 0.57603 11.2832
261 2CDU ADP 0.000001306 0.40249 11.2832
262 1DLJ NAI 0.0006805 0.41881 11.6915
263 1DLJ UGA 0.002075 0.40232 11.6915
264 3NKS FAD 0.00000006086 0.56705 12.069
265 2ZXI FAD 0.00000001529 0.54668 12.069
266 1GPE FAD 0.0000002091 0.51292 12.069
267 2RGH FAD 0.000001053 0.49902 12.069
268 5G3U FDA 0.0000007939 0.49776 12.069
269 5G3U ITW 0.000004412 0.48715 12.069
270 5M67 3D1 0.002049 0.40163 12.069
271 5M67 ADE 0.002226 0.40041 12.069
272 3AD8 NAD 0.000000000489 0.57897 12.1212
273 3AD8 FAD 0.000006649 0.50145 12.1212
274 3AD8 PYC 0.000006649 0.41097 12.1212
275 1BW9 NAD 0.0001765 0.49058 12.9213
276 2Z3Y F2N 0.0000000261 0.56005 12.931
277 4MO2 FDA 0.000001048 0.52308 12.931
278 4MO2 FAD 0.000001041 0.51943 12.931
279 5UAO FAD 0.0000001649 0.51939 12.931
280 5CAE COA 0.001605 0.4413 12.931
281 3OA2 NAD 0.001519 0.43038 12.931
282 1C1X NAD 0.0002915 0.46588 12.9577
283 1C1X HFA 0.04243 0.4034 12.9577
284 2GAG NAD 0.0000000002574 0.6033 13.1313
285 2GAG FAD 0.000002242 0.49831 13.1313
286 2GAG FOA 0.000003182 0.4932 13.1313
287 1OUW MLT 0.0013 0.47697 13.1579
288 5C79 PBU 0.01663 0.44136 13.3333
289 1D4D FAD 0.00000004851 0.55108 13.7931
290 4CNK FAD 0.00000003517 0.53894 13.7931
291 4HA6 FAD 0.000000517 0.51685 13.7931
292 3ZNN FAD 0.000003682 0.50268 13.7931
293 3ZNN 4WL 0.000003682 0.50268 13.7931
294 1N4W FAD 0.000009919 0.47411 13.7931
295 1FL2 FAD 0.0000000002355 0.61347 13.871
296 1YKJ FAD 0.0000068 0.49834 13.9594
297 1YKJ PHB 0.0000068 0.41936 13.9594
298 2YVF FAD 0.000000006014 0.60329 14.2157
299 2YVF NAD 0.000000006532 0.60329 14.2157
300 2YVJ FAD 0.000000001982 0.57516 14.2157
301 2YVJ NAI 0.000002472 0.40508 14.2157
302 5JCM NAD 0.000000003934 0.61473 14.4124
303 5JCM ISD 0.000000003934 0.61473 14.4124
304 5JCM FAD 0.000000003633 0.61473 14.4124
305 1CER NAD 0.0001039 0.48446 14.5015
306 4G74 UQ5 0.00000005283 0.5559 14.6552
307 4G74 FAD 0.000000006846 0.55587 14.6552
308 1COY AND 0.00002146 0.47611 14.6552
309 1COY FAD 0.000008227 0.47302 14.6552
310 4D7E FAD 0.00005837 0.46394 14.6552
311 2Q1S NAI 0.0005903 0.415 14.8362
312 3GGO ENO 0.001302 0.40253 14.8362
313 3GGO NAI 0.001302 0.40253 14.8362
314 1Q1R FAD 0.0000000006623 0.59017 15.0812
315 1JNR FAD 0.00000001934 0.59889 15.5172
316 3OZ2 FAD 0.000000002221 0.58573 15.5172
317 1PN0 IPH 0.0000001002 0.54791 15.5172
318 1PN0 FAD 0.00000009106 0.54791 15.5172
319 2AQJ FAD 0.0000003308 0.54127 15.5172
320 2AQJ TRP 0.0000003504 0.53927 15.5172
321 3QVP FAD 0.0000001147 0.53863 15.5172
322 4MOP 2H5 0.000004426 0.45001 15.5172
323 2PHR MAN MAN BMA MAN 0.009228 0.44621 15.873
324 2GN3 MAN 0.03994 0.41557 15.873
325 5E8J SAH 0.01407 0.42454 15.9091
326 4YSX FAD 0.00000003297 0.56332 15.9574
327 1QMG APX 0.001224 0.44969 16.3793
328 3G2O SAM 0.003062 0.44582 16.3793
329 1ZEM NAD 0.002055 0.43069 16.3793
330 3OJO NAD 0.0000184 0.40159 16.3793
331 1JQ3 AAT 0.0003861 0.44237 16.5541
332 1V6A TRE 0.04816 0.4105 16.8675
333 1M2W NAD 0.003372 0.43046 17.2414
334 1M2W MTL 0.04671 0.41339 17.2414
335 3GDH SAH 0.007294 0.41303 17.2414
336 1Y1P NMN AMP PO4 0.01468 0.40245 17.2414
337 3LXD FAD 0.00000000009548 0.60486 17.3494
338 5H81 NAP 0.005962 0.42256 17.4807
339 3AB1 FAD 0.0000000008326 0.59957 18.1034
340 3Q9T FAY 0.000003878 0.47466 18.1034
341 2Q1W NAD 0.0002591 0.40256 18.1034
342 5BXV MGP 0.04636 0.41314 18.1818
343 2NPX FAD 0.000000001311 0.62633 18.5682
344 2NPX NAD 0.00000001311 0.50072 18.5682
345 1O94 ADP 0.000000007636 0.4966 18.8825
346 1DJN ADP 0.00000001449 0.48373 18.8825
347 4RPL FAD 0.000001122 0.52688 18.9655
348 4RPL 3UC 0.00000257 0.51702 18.9655
349 1LSS NAD 0.00001256 0.40045 18.9655
350 3NTD FAD 0.0000000003208 0.60507 19.0751
351 3CGB FAD 0.0000000003145 0.60048 19.1667
352 3FPF TNA 0.001534 0.4062 20.6897
353 4WOV 3SM 0.04425 0.40578 20.6897
354 2V3A FAD 0.000000004666 0.56707 20.8333
355 2V3B FAD 0.000000006733 0.55926 20.8333
356 1VDC FAD 0.00000001224 0.57738 21.021
357 5KMS FAD 0.000000007596 0.60415 21.2346
358 5KMS NAD 0.0000002481 0.46672 21.2346
359 1GEE NAD 0.007394 0.40043 22.4138
360 4NTD FAD 0.000000003721 0.57044 22.9412
361 3KLJ FAD 0.00000000002015 0.61561 23.6364
362 3CGD NAD 0.000000003816 0.62746 24.2775
363 3CGD FAD 0.000000003816 0.62746 24.2775
364 3CGD COA 0.000000003816 0.62746 24.2775
365 1YQZ FAD 0.000000004096 0.60783 24.4292
366 3W9K MYR 0.02833 0.40917 24.4604
367 3LZW NAP 0.000000008711 0.59511 26.2048
368 3LZW FAD 0.0000000008933 0.58962 26.2048
369 4YRY FAD 0.000000005298 0.58139 26.7094
370 4YRY NAD 0.00000001241 0.51739 26.7094
371 5ODQ FAD 0.000000001581 0.59881 26.7241
372 2CUL FAD 0.00000006704 0.519 27.1552
373 5J60 FAD 0.0000000001366 0.62531 27.5
374 3ICS FAD 0.0000000003436 0.60405 27.9383
375 3ICR FAD 0.0000000003172 0.60067 27.9383
376 3ICT FAD 0.000000001843 0.57688 27.9383
377 3ICT ADP 0.0000001004 0.40464 27.9383
378 3ICS ADP 0.0000002383 0.40009 27.9383
379 3F8D FAD 0.00000001565 0.59907 28.1734
380 5JCA NDP 0.000000009966 0.59685 28.3237
381 5JCA FAD 0.000000002637 0.59144 28.3237
382 1LOB MMA 0.04731 0.41138 28.8462
383 1TDF NAP 0.000000003918 0.62061 30.0633
384 1TDF FAD 0.000000000784 0.61604 30.0633
385 3CTY FAD 0.00000000006897 0.64786 30.4075
386 1XHC FAD 0.0000000001004 0.61165 32.1526
387 5C2N NAG 0.03259 0.42169 37.5
388 1ZK7 FAD 0.00000000000003619 0.75987 39.1863
389 1LVL FAD 0.0000000000002497 0.72724 41.7031
390 1LVL NAD 0.000003776 0.40983 41.7031
391 4JDR FAD 0.000000000000007883 0.76926 41.8112
392 1MO9 KPC 0.00000000001052 0.7228 42.3892
393 1MO9 FAD 0.00000000001357 0.71758 42.3892
394 1V59 FAD 0.000000000000006772 0.78417 43.1599
395 1V59 NAD 0.0000001711 0.40357 43.1599
396 3LAD FAD 0.00000000000000866 0.77329 43.5453
397 5U8U FAD 0.00000000000002542 0.79835 44.316
398 2A8X FAD 0.00000000000001699 0.76616 45.4741
399 4M52 FAD 0.00000000000001477 0.76566 45.7082
400 2F5Z FAD 0.000000000000008882 0.77545 46.6245
401 1ZMD FAD 0.00000000000001121 0.76005 46.6245
402 1ZMD NAI 0.0000008634 0.57607 46.6245
403 3RNM FAD 0.00000000000001221 0.77088 46.6281
404 1FEC FAD 3.17e-17 0.86512 47.2062
405 1BZL FAD 0.00000000000001465 0.84261 48.5597
406 2WPF FAD 0.000000000000002665 0.86899 49.3256
407 2WPF WPF 0.000000000000004108 0.86558 49.3256
Pocket No.: 2; Query (leader) PDB : 3QFA; 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: 3qfa.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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