Receptor
PDB id Resolution Class Description Source Keywords
2Q7V 1.9 Å EC: 1.8.1.9 CRYSTAL STRUCTURE OF DEINOCOCCUS RADIODURANS THIOREDOXIN RED DEINOCOCCUS RADIODURANS ROSSMANN FOLD FAD FLAVOPROTEIN OXIDOREDUCTASE REDOX-ACTI
Ref.: THIOREDOXIN SYSTEM FROM DEINOCOCCUS RADIODURANS. J.BACTERIOL. V. 192 494 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:348;
B:448;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Q7V 1.9 Å EC: 1.8.1.9 CRYSTAL STRUCTURE OF DEINOCOCCUS RADIODURANS THIOREDOXIN RED DEINOCOCCUS RADIODURANS ROSSMANN FOLD FAD FLAVOPROTEIN OXIDOREDUCTASE REDOX-ACTI
Ref.: THIOREDOXIN SYSTEM FROM DEINOCOCCUS RADIODURANS. J.BACTERIOL. V. 192 494 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2Q7V - 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 2Q7V - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5MIR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5MH4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5MIQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5MIP - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 5MIT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5MJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5MIS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 1FL2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 3CTY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 2Q0K - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 2Q0L - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
12 5J60 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 2Q7V - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 3ITJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 1VDC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 3F8R - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
17 3F8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 3F8D - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 4UP3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
20 1TDF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 1CL0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 1TRB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
23 1TDE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Q7V; Ligand: FAD; Similar sites found: 570
This union binding pocket(no: 1) in the query (biounit: 2q7v.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZL4 ALA ALA ALA ALA 0.04524 0.41117 None
2 3L9W AMP 0.00003041 0.42516 1.53846
3 1G55 SAH 0.01217 0.41356 1.53846
4 3L9W GSH 0.00006356 0.40887 1.53846
5 3TCG LYS GLY GLU 0.0259 0.40706 1.53846
6 4KOA NDP 0.001457 0.46406 1.84615
7 1I0Z NAI 0.0003722 0.45066 1.84615
8 1LDM NAD 0.0004304 0.44817 1.84615
9 1KEV NDP 0.0003209 0.44147 1.84615
10 1BXK NAD 0.000121 0.40408 1.84615
11 5TME UDP 0.04775 0.40319 1.84615
12 4ZRN NAD 0.0003245 0.44129 1.92308
13 1WB4 SXX 0.02119 0.42956 2.0202
14 3GFB NAD 0.0001145 0.47783 2.15385
15 5THY SAH 0.0009292 0.46117 2.15385
16 3JV7 NAD 0.0003412 0.45215 2.15385
17 5F8F SFG 0.006816 0.43558 2.15385
18 2Q1S NAI 0.000293 0.42742 2.15385
19 5DX8 SFG 0.004139 0.42559 2.15385
20 5DXA SFG 0.004661 0.42334 2.15385
21 2Z9V PXM 0.03144 0.42058 2.15385
22 3LST SAH 0.01826 0.41794 2.15385
23 1SB8 UD2 0.001285 0.41315 2.15385
24 1SB8 NAD 0.001012 0.41315 2.15385
25 2PZM UDP 0.001773 0.40102 2.15385
26 2PZM NAD 0.001773 0.40102 2.15385
27 3WLE NAD 0.0006784 0.40017 2.15385
28 1DL5 SAH 0.002749 0.42444 2.2082
29 4D3F NAP 0.0001811 0.48893 2.25806
30 1E3W NAD 0.002036 0.42159 2.29885
31 1E6W NAD 0.005057 0.406 2.30769
32 3JQA NAP 0.00255 0.42301 2.43056
33 3BMO NAP 0.002373 0.42158 2.43056
34 5JCJ NAP 0.002435 0.42113 2.43056
35 4CM8 NAP 0.002494 0.42072 2.43056
36 4CMI NAP 0.0025 0.42067 2.43056
37 4CM4 NAP 0.002554 0.4203 2.43056
38 3BMQ NAP 0.002196 0.42029 2.43056
39 3JQF NAP 0.002261 0.41979 2.43056
40 3JQB NAP 0.003065 0.41976 2.43056
41 5JDC NAP 0.002694 0.41937 2.43056
42 3JQG NAP 0.003192 0.41904 2.43056
43 4CLO NAP 0.007858 0.40309 2.43056
44 3JQ7 NAP 0.008128 0.40249 2.43056
45 4CME NAP 0.008084 0.40023 2.43056
46 1KPG SAH 0.005677 0.42256 2.43902
47 3GD4 NAD 0.00000000559 0.62277 2.46154
48 3GD4 FAD 0.000000002018 0.62185 2.46154
49 2XVF FAD 0.0000000056 0.56533 2.46154
50 3DMH SAM 0.0007389 0.46566 2.46154
51 2Q1W NAD 0.0001517 0.45957 2.46154
52 2JJQ SAH 0.002734 0.45925 2.46154
53 3LU1 NAD 0.0004686 0.44672 2.46154
54 5MPT SAH 0.003644 0.44127 2.46154
55 5X62 SAH 0.007568 0.42976 2.46154
56 2B4R NAD 0.00003073 0.42644 2.46154
57 3DMH GMP 0.002206 0.42557 2.46154
58 3CIF NAD 0.00002131 0.42322 2.46154
59 5N9X THR 0.03109 0.42079 2.46154
60 1KEW NAD 0.001005 0.41598 2.46154
61 1OC2 NAD 0.00156 0.41268 2.46154
62 2DFV NAD 0.00004557 0.40922 2.46154
63 2B4R AES 0.00009391 0.40864 2.46154
64 3CIF G3H 0.0002341 0.40589 2.46154
65 5FSY AR6 0.01882 0.40201 2.46154
66 2FR1 NDP 0.0007983 0.43205 2.46914
67 2BKX F6R 0.02183 0.41403 2.47934
68 1LTH NAD 0.00003753 0.40239 2.50784
69 2F1K NAP 0.000008001 0.5293 2.50896
70 2FK8 SAM 0.003328 0.43613 2.51572
71 1JJ7 ADP 0.04439 0.41321 2.69231
72 2AHR NAP 0.006253 0.40471 2.7027
73 4OBW SAM 0.0042 0.43838 2.72374
74 1GEG NAD 0.004438 0.40824 2.73438
75 5JWC FAD 0.000000003736 0.61874 2.76923
76 2XVE FAD 0.00000006579 0.57088 2.76923
77 2X3N FAD 0.00000003872 0.53909 2.76923
78 5LD5 NAD 0.0001042 0.49523 2.76923
79 3ABI NAD 0.00009246 0.47447 2.76923
80 1HKU NAD 0.0002529 0.45414 2.76923
81 1V8B NAD 0.00004554 0.43789 2.76923
82 5DN9 NAD 0.0006866 0.43186 2.76923
83 1Q8A HCS 0.04623 0.41258 2.76923
84 1UDB NAD 0.002207 0.40414 2.76923
85 3L4S NAD 0.0002631 0.40174 2.76923
86 3L4S 3PG 0.0003376 0.40133 2.76923
87 1SAY PYR 0.0001683 0.41193 2.77008
88 4RDH AMP 0.000002315 0.60508 2.77778
89 4RDI ATP 0.000002759 0.40744 2.77778
90 3G89 SAM 0.0003834 0.50184 2.81124
91 3OA2 NAD 0.001286 0.43223 2.83019
92 4BQS ADP 0.03991 0.41481 2.84091
93 2DT5 NAD 0.00004698 0.48974 2.8436
94 2G5C NAD 0.00004594 0.41981 2.84698
95 3GDH SAH 0.003117 0.42792 2.90456
96 3M0J OAF 0.03249 0.41209 2.9316
97 2FJK 13P 0.04555 0.40428 2.95082
98 5MGZ SAH 0.01384 0.41096 2.9661
99 1XCL SAH 0.001484 0.42177 2.97872
100 4DMG SAM 0.004197 0.45423 3.05344
101 3AYI HCI 0.000000003365 0.60845 3.07692
102 3AYI FAD 0.000000003068 0.60839 3.07692
103 3T31 DCQ 0.0000000209 0.58478 3.07692
104 3T31 FAD 0.0000000176 0.58478 3.07692
105 1Y8Q ATP 0.000003718 0.553 3.07692
106 5MZI FAD 0.00000006943 0.47312 3.07692
107 5MZI FYK 0.00000007063 0.46953 3.07692
108 1DLJ NAI 0.00005351 0.45904 3.07692
109 1GQ2 NAP 0.0002763 0.45896 3.07692
110 1DLJ UGA 0.0002021 0.43913 3.07692
111 3WMX NAD 0.001398 0.43659 3.07692
112 5HJM MTA 0.006871 0.42503 3.07692
113 1VKO NAD 0.001837 0.41823 3.07692
114 4X6I 3Y1 0.019 0.40459 3.25581
115 5A3B APR 0.004941 0.41389 3.30033
116 5JE8 NAD 0.000121 0.48434 3.31126
117 4ITU NAI 0.003491 0.40529 3.34572
118 3FPF TNA 0.00138 0.40675 3.3557
119 4K5S PM0 0.00000001636 0.57884 3.35821
120 4K5S FAD 0.0000000005152 0.57839 3.35821
121 1JQ3 AAT 0.0003835 0.44137 3.37838
122 1YY5 FAD 0.0000000004968 0.6241 3.38462
123 1RSG FAD 0.000000001107 0.60871 3.38462
124 5G3U FDA 0.000000003837 0.60297 3.38462
125 2WET FAD 0.00000002962 0.55902 3.38462
126 3ZNN FAD 0.0000002775 0.5453 3.38462
127 3ZNN 4WL 0.0000002775 0.5453 3.38462
128 3WGT QSC 0.000000189 0.5423 3.38462
129 3WGT FAD 0.0000001723 0.5423 3.38462
130 5G3U ITW 0.00000004173 0.53673 3.38462
131 4RSL FAD 0.0000007704 0.53028 3.38462
132 3S5W FAD 0.00000002296 0.51936 3.38462
133 1O0S NAI 0.000149 0.48848 3.38462
134 5H81 NAP 0.0009353 0.45731 3.38462
135 5M67 ADE 0.0001137 0.44673 3.38462
136 5M67 NAD 0.0001148 0.44659 3.38462
137 5M67 3D1 0.0001197 0.44596 3.38462
138 2EG5 SAH 0.008597 0.43436 3.38462
139 4OOE NDP 0.006139 0.40998 3.38462
140 3H9E NAD 0.00005175 0.40488 3.38462
141 3EWP APR 0.006112 0.41006 3.38983
142 3EGI ADP 0.0004998 0.51943 3.39806
143 2EV9 SKM 0.0003796 0.44437 3.42205
144 3U31 NAD 0.002763 0.43644 3.44828
145 4J4H NAI 0.0007386 0.41688 3.4749
146 4J4H 1J1 0.0007386 0.41688 3.4749
147 4JK3 NAD 0.00002109 0.41462 3.4749
148 2F5X ASP 0.02524 0.42588 3.52564
149 1EQ2 NAP 0.0006491 0.44412 3.54839
150 3B9Q MLI 0.009197 0.41833 3.64238
151 2VDV SAM 0.0008632 0.48425 3.65854
152 3QJ4 FAD 0.000000001263 0.61983 3.69231
153 4DSG UDP 0.00000002877 0.58361 3.69231
154 2RGH FAD 0.0000001959 0.52798 3.69231
155 2RGO FAD 0.0000001998 0.51638 3.69231
156 3V1Y NAD 0.00003118 0.50488 3.69231
157 4MOP 2H5 0.000000072 0.49733 3.69231
158 4DSG FAD 0.00000002877 0.48052 3.69231
159 4U8P FDA 0.00000005227 0.45444 3.69231
160 4U8P UDP 0.00000005979 0.44729 3.69231
161 2VHW NAI 0.00003662 0.43909 3.69231
162 2I3G NAP 0.0008177 0.43438 3.69231
163 4XQC NAD 0.0004769 0.41157 3.69231
164 4XQC 13D 0.000378 0.41146 3.69231
165 2Z4T C5P 0.03936 0.40766 3.69231
166 4E5N NAD 0.0001681 0.40374 3.69231
167 1U8X NAD 0.01032 0.40061 3.69231
168 2NXE SAM 0.002789 0.44673 3.93701
169 2YY8 MTA 0.01755 0.4224 3.9801
170 4D79 ATP 0.000004262 0.57884 3.98551
171 1H82 GZZ 0.000000002724 0.62121 4
172 2ZXI FAD 0.000000008521 0.59567 4
173 4G74 FAD 0.00000001852 0.58849 4
174 2Y6Q I7T 0.00000007636 0.55297 4
175 2Y6Q FAD 0.000000002839 0.55074 4
176 5HSA FAS 0.00000006889 0.54675 4
177 1H82 FAD 0.000000001754 0.52624 4
178 4G74 UQ5 0.00000008435 0.51327 4
179 4D7E FAD 0.000002931 0.50942 4
180 3R4S SIA 0.01443 0.44974 4
181 2IXB NAD 0.0003411 0.4491 4
182 1LLU NAD 0.0005877 0.43174 4
183 2BH9 NAP 0.0093 0.42896 4
184 2IXB A2G 0.0005748 0.42218 4
185 1CF2 NAP 0.0000231 0.41812 4
186 4GR5 APC 0.01964 0.41634 4
187 3OND ADN 0.0001299 0.41624 4
188 3OND NAD 0.0001299 0.41624 4
189 2P4Q FLC 0.04627 0.41486 4
190 1XDS SAM 0.01214 0.42685 4.01069
191 4PX9 ADP 0.03388 0.40128 4.10959
192 3WV8 ATP 0.00000116 0.4287 4.12844
193 2AG8 NAP 0.000009981 0.40161 4.18251
194 5EVY FAD 0.000005604 0.55049 4.30769
195 4ZCC FAD 0.000000004313 0.5357 4.30769
196 4ZCC NAI 0.000000004313 0.5357 4.30769
197 1BW9 NAD 0.00004083 0.5176 4.30769
198 1C1X NAD 0.00003593 0.50234 4.30769
199 1Z45 NAD 0.0002515 0.45736 4.30769
200 3OJO NAD 0.000001596 0.43 4.30769
201 1DSS NAD 0.00000539 0.42794 4.30769
202 1UWK URO 0.0004801 0.42226 4.30769
203 1UWK NAD 0.0004801 0.42226 4.30769
204 1RM4 NDP 0.00006329 0.40754 4.30769
205 1BXG NAD 0.00004369 0.40738 4.30769
206 4XYB NDP 0.003383 0.40357 4.30769
207 1RPN NDP 0.005157 0.40109 4.30769
208 1TE2 PGA 0.04024 0.41305 4.42478
209 2VOH CIT 0.006463 0.47432 4.4586
210 3GGO ENO 0.0004703 0.41941 4.4586
211 3GGO NAI 0.0004703 0.41941 4.4586
212 2B9W FAD 0.00000000911 0.59613 4.48113
213 5E50 ALA TYR ASP GLU SEP TPO ASP GLU GLU 0.04927 0.40595 4.5045
214 3OU2 SAH 0.005956 0.41315 4.58716
215 3NKS FAD 0.0000000005367 0.63822 4.61538
216 2AQJ FAD 0.0000000479 0.57457 4.61538
217 2AQJ TRP 0.00000005105 0.57238 4.61538
218 1E1M NAP 0.00000001358 0.51131 4.61538
219 1E1M FAD 0.00000001358 0.51131 4.61538
220 1Q9I TEO 0.000000004893 0.51129 4.61538
221 1Q9I FAD 0.000000004893 0.51129 4.61538
222 3NJ4 NAD 0.001261 0.4442 4.61538
223 3NJ4 AFX 0.002543 0.43239 4.61538
224 1M2W NAD 0.01114 0.4068 4.61538
225 3OFK SAH 0.0008685 0.45874 4.62963
226 3SJU NDP 0.005756 0.40149 4.6595
227 2XEM SSV 0.03713 0.40901 4.66667
228 2UVO NAG 0.002334 0.47408 4.67836
229 5U5G NAP 0.0005902 0.44577 4.74576
230 1G8S MET 0.04252 0.41219 4.78261
231 4NBU NAI 0.003073 0.41208 4.8
232 5FJN BE2 0.000000005179 0.59125 4.82456
233 5FJN FAD 0.000000003656 0.59125 4.82456
234 5AOA PPI 0.03379 0.42073 4.8951
235 4TXI FAD 0.000000004059 0.63407 4.92308
236 2V3A FAD 0.000000001962 0.58577 4.92308
237 2GMH FAD 0.000000009959 0.57488 4.92308
238 2BRY FAD 0.000000001352 0.56398 4.92308
239 3NYC FAD 0.00000005463 0.56361 4.92308
240 4J36 FAD 0.000000001989 0.56198 4.92308
241 4MIG G3F 0.00000005288 0.56132 4.92308
242 4J36 1HR 0.00000004199 0.55721 4.92308
243 3HDY FAD 0.0000002083 0.55424 4.92308
244 3HDY FDA 0.0000002383 0.55217 4.92308
245 3HDY GDU 0.0000002557 0.55217 4.92308
246 2RGJ FAD 0.0000000102 0.53913 4.92308
247 1PN0 FAD 0.00000002887 0.52606 4.92308
248 1PN0 IPH 0.00000003185 0.51993 4.92308
249 3NYC IAR 0.00000005463 0.50469 4.92308
250 5KOK SAH 0.002414 0.44598 4.92308
251 5JJR SAH 0.003262 0.44353 4.92308
252 4DPL NAP 0.001603 0.42568 4.92308
253 1E3I CXF 0.001008 0.41823 4.92308
254 9LDB NAD 0.0001012 0.41017 4.92308
255 9LDT NAD 0.000111 0.40976 4.92308
256 5T67 JHZ 0.002142 0.40015 4.92308
257 4NEC SAH 0.01524 0.41842 4.92424
258 5OFW 9TW 0.007915 0.45503 4.93274
259 2IVD FAD 0.000000001357 0.62929 5.23077
260 3G5S FAD 0.000000001416 0.5841 5.23077
261 4X9M FAD 0.000000009441 0.5801 5.23077
262 4BJZ P3A 0.0000002841 0.55764 5.23077
263 1HDG NAD 0.0001164 0.48505 5.23077
264 1RYI FAD 0.00000004022 0.55457 5.2356
265 1JNR FAD 0.00000000157 0.64291 5.33333
266 5CAE COA 0.000792 0.45339 5.43131
267 5CAE SIN 0.004253 0.40206 5.43131
268 1JG3 ADN 0.0002223 0.49829 5.53191
269 5TUK FAD 0.0000000801 0.60613 5.53846
270 5J7X FAD 0.00000002953 0.57201 5.53846
271 1YKJ FAD 0.0000001491 0.56051 5.53846
272 5UAO FAD 0.0000001009 0.52993 5.53846
273 1YKJ PHB 0.0000001491 0.45719 5.53846
274 1D1T NAD 0.000477 0.44641 5.53846
275 1OBB NAD 0.00242 0.43263 5.53846
276 3S1S SAH 0.002929 0.43214 5.53846
277 5N53 8NB 0.002751 0.48156 5.64103
278 2PV7 NAD 0.0002416 0.46465 5.7047
279 1V6A TRE 0.002749 0.48048 5.72289
280 4YMH SAH 0.002147 0.44473 5.83333
281 2Z3Y F2N 0.0000000005088 0.62193 5.84615
282 5TTJ FAD 0.000000000892 0.61994 5.84615
283 5BUK FAD 0.000000001348 0.6094 5.84615
284 3QVP FAD 0.000000008833 0.58007 5.84615
285 5BVA FAD 0.000000002132 0.57669 5.84615
286 2E5V FAD 0.00000001407 0.57324 5.84615
287 4Z24 FAD 0.00000001406 0.56361 5.84615
288 3GDN HBX 0.00000009504 0.55529 5.84615
289 3GDN FAD 0.0000000439 0.55495 5.84615
290 5EB4 FAD 0.00000003159 0.55442 5.84615
291 5GZ6 NDP 0.0002911 0.48393 5.84615
292 5GZ6 7C3 0.0005479 0.46385 5.84615
293 1J0X NAD 0.0001878 0.43395 5.84615
294 2D24 XYS XYS 0.02296 0.42818 5.84615
295 1C0I BE2 0.00864 0.40692 5.84615
296 1C0I FAD 0.00864 0.40692 5.84615
297 4PLG NAI 0.0006279 0.40424 5.84615
298 2UZ1 TPP 0.009747 0.40412 5.84615
299 1J49 NAD 0.00009252 0.40388 5.84615
300 3A27 SAM 0.0006271 0.47715 5.88235
301 1A5Z NAD 0.000007388 0.40771 5.95611
302 4FWE FAD 0.0000000004502 0.62372 6.15385
303 4HA6 FAD 0.000000002986 0.59598 6.15385
304 5TUF FAD 0.00000005297 0.5915 6.15385
305 4OPC PGT 0.000000166 0.58911 6.15385
306 4OPC FDA 0.000000122 0.58911 6.15385
307 4YNU FAD 0.0000000105 0.5792 6.15385
308 4YNU LGC 0.00000002085 0.57522 6.15385
309 2DKH FAD 0.000000002233 0.55933 6.15385
310 1NAA 6FA 0.00000002032 0.55258 6.15385
311 2DKH 3HB 0.00000003685 0.54793 6.15385
312 1NAA ABL 0.00000004555 0.49826 6.15385
313 2R4J FAD 0.0000001734 0.48691 6.15385
314 2R4J 13P 0.0000001734 0.48691 6.15385
315 5E4R NAP 0.0002724 0.45921 6.15385
316 5TUF TDC 0.0000005122 0.45133 6.15385
317 1Z82 NDP 0.002596 0.4227 6.15385
318 2V51 ATP 0.00917 0.4162 6.15385
319 4B1W ATP 0.01457 0.40432 6.15385
320 2HMT NAI 0.000001118 0.43044 6.25
321 4CJX NAP 0.0005299 0.45737 6.26959
322 1W73 NAP 0.005739 0.41656 6.29139
323 1FNZ A2G 0.02069 0.43224 6.32911
324 4CNK FAD 0.00000000026 0.61315 6.46154
325 5I39 FAD 0.00000001745 0.57999 6.46154
326 1GPE FAD 0.000000004738 0.56085 6.46154
327 1KNR FAD 0.00000002327 0.55898 6.46154
328 3WE0 FAD 0.00000004712 0.55552 6.46154
329 2CDC XYP 0.004261 0.40298 6.46154
330 5AYV KPL 0.0002279 0.41196 6.47249
331 4O0L NDP 0.003139 0.41172 6.54545
332 1IM8 SAI 0.002303 0.44336 6.55738
333 3G2O SAM 0.001455 0.46001 6.68896
334 2ZV2 609 0.04428 0.40493 6.71141
335 5ULP KB1 0.00299 0.42869 6.71642
336 3E1T FAD 0.000000001056 0.61122 6.76923
337 5MBX FAD 0.000000004872 0.60427 6.76923
338 5MBX SP5 0.000000004872 0.60427 6.76923
339 3OZ2 FAD 0.000000003412 0.59511 6.76923
340 4YSX FAD 0.000000005821 0.58723 6.76923
341 4MO2 FDA 0.00000002052 0.58215 6.76923
342 3AXB FAD 0.00000002134 0.58155 6.76923
343 4MO2 FAD 0.00000001673 0.58063 6.76923
344 1I8T FAD 0.00000001898 0.55826 6.76923
345 3AXB PRO 0.0000000598 0.54296 6.76923
346 3IHG FAD 0.000000003993 0.52891 6.76923
347 3GF4 FAD 0.0000001295 0.48305 6.76923
348 3GF4 UPG 0.0000001024 0.47501 6.76923
349 3VPH OXM 0.00007015 0.428 6.77419
350 3VPH NAD 0.0001535 0.41096 6.77419
351 1EZ4 NAD 0.0001185 0.48091 6.91824
352 1QD0 RR6 0.01607 0.42436 7.03125
353 4K28 NAD 0.00004703 0.5016 7.0632
354 4BV6 FAD 0.0000000003176 0.625 7.07692
355 4AT0 FAD 0.0000004201 0.52904 7.07692
356 4C3Y FAD 0.0000003209 0.52436 7.07692
357 4C3Y ANB 0.0000009121 0.51619 7.07692
358 3FPZ AHZ 0.0001068 0.50356 7.07692
359 4MDH NAD 0.007006 0.40513 7.07692
360 3QV1 NAD 0.00001966 0.41233 7.31707
361 2CUL FAD 0.00000001638 0.54168 7.32759
362 5KKA 6V0 0.001091 0.42687 7.37179
363 1VBO MAN MAN MAN 0.007835 0.45289 7.38255
364 1VBO MAN 0.03124 0.40016 7.38255
365 4IV9 FAD 0.000000008654 0.58138 7.38462
366 5EZ7 FAD 0.00000002139 0.57242 7.38462
367 4EIP K2C 0.00000007831 0.5526 7.38462
368 4EIP FAD 0.00000007831 0.51738 7.38462
369 3CMC NAD 0.003175 0.40823 7.38462
370 1UXG NAD 0.0001493 0.42709 7.44337
371 2YG3 FAD 0.0000000003157 0.6205 7.69231
372 4REP FAD 0.00000000244 0.58688 7.69231
373 2GV8 FAD 0.000000002114 0.56407 7.69231
374 2GVC FAD 0.000000001718 0.56151 7.69231
375 1VQW FAD 0.000000005467 0.54641 7.69231
376 1GTE FAD 0.000000002874 0.50518 7.69231
377 2HJR APR 0.00007527 0.50138 7.69231
378 5MUA GAL 0.0478 0.40667 7.69231
379 3B1F NAD 0.000009034 0.40762 7.93103
380 2GND MAN 0.002723 0.47659 7.93651
381 2GND MAN MMA 0.005549 0.46213 7.93651
382 2PHW MAN MAN 0.00578 0.46116 7.93651
383 2PHR MAN MAN 0.006302 0.45909 7.93651
384 2GN3 MAN 0.004073 0.45442 7.93651
385 2GN3 MMA 0.00669 0.44733 7.93651
386 2PHT MAN MAN MAN BMA MAN 0.008374 0.44308 7.93651
387 2PHW MAN MAN MAN BMA MAN MAN MAN 0.01004 0.43895 7.93651
388 2GMM MAN MAN 0.01334 0.4379 7.93651
389 2PHT MAN MAN MAN 0.01791 0.43451 7.93651
390 2GMP NAG MAN 0.01912 0.42976 7.93651
391 2PHR MAN MAN BMA MAN 0.02708 0.4201 7.93651
392 1O94 ADP 0.00000000001033 0.79065 8
393 1DJN ADP 0.00000000001718 0.55867 8
394 1NVM NAD 0.0002166 0.45675 8.01282
395 5ODQ FAD 0.00000000002582 0.65337 8.30769
396 2JB2 FAD 0.000000003038 0.6016 8.30769
397 2JB2 PHE 0.000000004131 0.59229 8.30769
398 3GMB FAD 0.00000001065 0.54348 8.30769
399 4YCA NDP 0.00003988 0.50046 8.30769
400 1R6D NAD 0.001622 0.41047 8.30769
401 1R6D DAU 0.001616 0.40969 8.30769
402 5E5U MLI 0.007779 0.44392 8.54271
403 5E8J SAH 0.001728 0.4692 8.65385
404 1NPD NAD 0.001084 0.44757 8.68056
405 1HYH NAD 0.00006566 0.47684 8.73786
406 3VYW SAM 0.0009342 0.46106 8.76623
407 1RP0 AHZ 0.000000001711 0.55388 8.80282
408 3EGV SAH 0.001728 0.46051 8.84354
409 4GUT FAD 0.000000000427 0.62988 8.87097
410 4GUS FAD 0.0000000003964 0.62743 8.87097
411 4HSU FAD 0.0000000009459 0.61462 8.87097
412 1QO8 FAD 0.0000000002528 0.63027 8.92308
413 3KLJ FAD 0.00000000003179 0.61573 8.92308
414 1CER NAD 0.00003573 0.50244 8.92308
415 4XDY NAI 0.0008353 0.44584 8.92308
416 2VYN NAD 0.00001541 0.42683 8.92308
417 3HAD NAD 0.001138 0.41233 9.09091
418 1GZ6 NAI 0.005073 0.40362 9.09091
419 1D4D FAD 0.000000001803 0.60337 9.23077
420 5KMS FAD 0.000000009426 0.59903 9.23077
421 1MUU NAD 0.00001425 0.52341 9.23077
422 5KMS NAD 0.0000004213 0.45597 9.23077
423 1MV8 NAD 0.00001353 0.42034 9.23077
424 1H5Q NAP 0.003528 0.41468 9.43396
425 3TLJ SAH 0.005609 0.41983 9.53846
426 4FN4 NAD 0.002797 0.41615 9.84252
427 3BAZ NAP 0.00136 0.44016 9.84615
428 1LOB MMA 0.009297 0.45049 9.94475
429 1LOF MAN BMA NAG NAG MAN NAG GAL GAL 0.0469 0.4003 9.94475
430 2CDU FAD 0.0000000002895 0.60279 10.1538
431 4TM3 FAD 0.0000015 0.5296 10.1538
432 3Q9T FAY 0.0000001257 0.52724 10.1538
433 5BR7 FAD 0.00000004869 0.47244 10.1538
434 5BR7 FLC 0.0000003326 0.4501 10.1538
435 2CDU ADP 0.00000001677 0.44519 10.1538
436 1SOW NAD 0.0002856 0.40048 10.1538
437 1X87 NAD 0.00003368 0.40026 10.1538
438 3K7M FAD 0.000000001028 0.54084 10.4615
439 4XZ3 COA 0.01147 0.40625 10.4615
440 4O48 ASP 0.04374 0.41288 10.5422
441 5EOW FAD 0.000000008661 0.61063 10.6173
442 4RPL FAD 0.00000005239 0.57784 10.7692
443 4RPL 3UC 0.00000007382 0.57576 10.7692
444 1N4W FAD 0.0000001027 0.54409 10.7692
445 1ELI PYC 0.000003463 0.48048 10.7692
446 5FA5 MTA 0.0008424 0.47999 10.7692
447 5HS2 CTP 0.01257 0.42254 10.7759
448 2V3B FAD 0.000000002524 0.57804 10.9091
449 3AD8 NAD 0.000000000008186 0.63837 11.0769
450 3AD8 FAD 0.000000349 0.55046 11.0769
451 1COY FAD 0.0000003036 0.52517 11.0769
452 1COY AND 0.000002264 0.44243 11.0769
453 3AD8 PYC 0.000000349 0.43741 11.0769
454 1LSS NAD 0.0000008844 0.42894 11.4286
455 5UAV TFB 0.0002675 0.41324 11.4907
456 5UAV NDP 0.0002675 0.41324 11.4907
457 1KYQ NAD 0.0000009233 0.41716 11.6788
458 2I7C AAT 0.00154 0.41866 12
459 5L95 AMP 0.00001641 0.54572 12.5
460 1NYT NAP 0.00202 0.43293 12.9151
461 2C7G FAD 0.00000002413 0.5813 12.9231
462 2C7G ODP 0.00000006642 0.56462 12.9231
463 1DXY NAD 0.00004265 0.40516 12.9231
464 2B5W NAP 0.002875 0.40399 12.9231
465 5WGR FAD 0.00000004447 0.55724 13.2308
466 1W7J ADP BEF 0.01891 0.41062 13.245
467 1E6E FAD 0.0000000007398 0.58967 13.2812
468 1LDN NAD 0.00008609 0.41222 13.2911
469 1KOL NAD 0.000419 0.40655 13.3166
470 1ZEM NAD 0.0003378 0.4621 13.7405
471 2VVL FAD 0.000000001452 0.60289 14.1538
472 2VVM FAD 0.0000000008727 0.60599 14.4615
473 2GUC MAN 0.009263 0.42298 14.7541
474 2HYR BGC GLC 0.01248 0.4113 14.7541
475 4II2 ATP 0.000003859 0.41238 14.7692
476 1QMG APX 0.002242 0.4372 15.0769
477 3B1J NAD 0.0001015 0.47288 16
478 2QA1 FAD 0.000000000187 0.66618 16.3077
479 5TS5 FAD 0.000000000443 0.62016 16.9231
480 2IID FAD 0.000000002731 0.5255 16.9231
481 2IID PHE 0.000000002731 0.5255 16.9231
482 3CYQ AMU 0.03235 0.41477 17.3913
483 1REO FAD 0.0000000005747 0.60732 17.8462
484 4QTU SAM 0.000679 0.47133 18.75
485 5JCM ISD 0.000000007858 0.60848 19.6923
486 5JCM FAD 0.000000007278 0.60848 19.6923
487 5JCM NAD 0.000000007858 0.60848 19.6923
488 1PS9 FAD 0.00000000002366 0.66278 20.3077
489 2GAG NAD 0.000000000006895 0.65925 20.6154
490 2GAG FAD 0.0000001127 0.54574 20.6154
491 2GAG FOA 0.0000001399 0.54255 20.6154
492 4EMI NAD 0.000000003555 0.61581 20.7317
493 4EMJ FAD 0.0000000003312 0.6151 20.7317
494 4EMI FAD 0.0000000002387 0.61448 20.7317
495 3FG2 FAD 0.00000000009372 0.5998 21.8462
496 2YVF NAD 0.00000001437 0.59553 23.0769
497 2YVF FAD 0.00000001327 0.59553 23.0769
498 3UOY NAP 0.00000002853 0.59063 23.0769
499 2YVJ FAD 0.000000002038 0.58002 23.0769
500 3UOY FAD 0.00000002853 0.4574 23.0769
501 2YVJ NAI 0.00000005856 0.44256 23.0769
502 2V6O FAD 0.000000004863 0.46233 23.6923
503 1Q1R FAD 0.0000000003214 0.64611 24
504 3UCL NAP 0.0000001804 0.5628 24.3077
505 3UCL CYH 0.0000001493 0.56265 24.3077
506 3UCL FAD 0.0000001493 0.56265 24.3077
507 4D04 NAP 0.00000007088 0.57203 25.8462
508 4D04 FAD 0.00000007088 0.46059 25.8462
509 1ZK7 FAD 0.00000000001493 0.63956 26.1538
510 4USQ FAD 0.0000000009953 0.57541 26.1538
511 2HQM FAD 0.00000000002512 0.664 26.3048
512 1FEC FAD 0.0000000009698 0.61772 26.7692
513 3CGB FAD 0.00000000002785 0.63984 26.875
514 1V59 FAD 0.00000000001664 0.67607 27.1967
515 1V59 NAD 0.000000005338 0.43373 27.1967
516 1BZL FAD 0.0000000147 0.62305 27.3846
517 4PU6 ASP 0.0247 0.4264 27.4809
518 1LVL NAD 0.00000008772 0.64288 27.5109
519 1LVL FAD 0.0000000001303 0.62322 27.5109
520 1MO9 KPC 0.0000000001677 0.68409 28
521 1MO9 FAD 0.0000000001669 0.68306 28
522 5MQ6 NDP 0.00001857 0.52785 28
523 4AP3 NAP 0.00000006223 0.57174 28.3077
524 4AP3 FAD 0.00000006223 0.46926 28.3077
525 2WPF WPF 0.000000008888 0.63297 28.6154
526 2WPF FAD 0.000000008897 0.63044 28.6154
527 5VN0 FAD 0.0000000008083 0.6266 28.6154
528 5VN0 NAI 0.00000003032 0.48333 28.6154
529 3LXD FAD 0.0000000002253 0.60001 29.6386
530 1GET FAD 0.00000000009765 0.6781 29.8462
531 1GET NAP 0.0000000001154 0.6781 29.8462
532 1YQZ FAD 0.000000008717 0.60073 30.4615
533 2NPX FAD 0.000000001857 0.61911 31.6923
534 2NPX NAD 0.0000000196 0.49138 31.6923
535 3ICS FAD 0.0000000002714 0.61337 32.3077
536 3ICR FAD 0.0000000002242 0.61104 32.3077
537 3ICT FAD 0.0000000005248 0.59918 32.3077
538 3ICT ADP 0.000000002423 0.43603 32.3077
539 3ICS ADP 0.000000004346 0.43301 32.3077
540 1XHC FAD 0.00000000004111 0.62877 34.0599
541 3NTA FAD 0.000000001135 0.62144 34.4615
542 3NT6 FAD 0.0000000006075 0.60206 34.4615
543 2A8X FAD 0.00000000008131 0.6298 35.0769
544 3NTD FAD 0.0000000009758 0.59524 35.0769
545 4M52 FAD 0.00000000008492 0.64621 35.6923
546 3RNM FAD 0.00000000004947 0.6561 36
547 2F5Z FAD 0.0000000000653 0.65203 36
548 1ZMD FAD 0.00000000004495 0.63801 36
549 1ZMD NAI 0.0000001835 0.60287 36
550 2RAB NAD 0.0000000001302 0.67361 36.6154
551 2RAB FAD 0.00000000002011 0.67131 36.6154
552 5JCA FAD 0.00000000005827 0.6417 37.5385
553 5JCA NDP 0.0000000008264 0.51223 37.5385
554 4M38 SAH 0.0007333 0.46581 38.0952
555 4JDR FAD 0.0000000001503 0.63589 38.4615
556 3SQP FAD 0.000000003449 0.68065 38.7692
557 3LAD FAD 0.00000000005822 0.65172 39.3846
558 5U8U FAD 0.000000001876 0.49439 40
559 4JNA FAD 0.00000000002311 0.66522 40.6154
560 4NTD FAD 0.00000000006077 0.63488 40.9231
561 3CGD FAD 0.000000001334 0.64875 41.2308
562 3CGD NAD 0.000000001334 0.64875 41.2308
563 3CGD COA 0.000000001334 0.64875 41.2308
564 4YRY FAD 0.0000000001208 0.63136 41.2308
565 4YRY NAD 0.0000000006323 0.54828 41.2308
566 4USR FAD 0.000000001303 0.56597 41.8462
567 4NTC FAD 0.00000000001689 0.66769 43.0769
568 3LZW NAP 0.0000000006061 0.64026 44
569 3LZW FAD 0.00000000004202 0.63964 44
570 3AB1 FAD 0.000000000008923 0.68282 46.1538
Pocket No.: 2; Query (leader) PDB : 2Q7V; 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: 2q7v.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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