Receptor
PDB id Resolution Class Description Source Keywords
4JDR 2.5 Å EC: 1.8.1.4 DIHYDROLIPOAMIDE DEHYDROGENASE OF PYRUVATE DEHYDROGENASE FRO ESCHERICHIA COLI ESCHERICHIA COLI LIPOAMIDE DEHYDROGENASE (E3); PYRUVATE DEHYDROGENASE OXIDOR
Ref.: INSIGHT TO THE INTERACTION OF THE DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2) CORE WITH THE PERIPHERAL COM IN THE ESCHERICHIA COLI PYRUVATE DEHYDROGENASE COMP MULTIFACETED STRUCTURAL APPROACHES. J.BIOL.CHEM. V. 288 15402 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:503;
A:505;
A:504;
A:507;
A:506;
B:504;
A:508;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
MES A:503;
B:502;
A:502;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
FAD A:501;
B:501;
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
4JDR 2.5 Å EC: 1.8.1.4 DIHYDROLIPOAMIDE DEHYDROGENASE OF PYRUVATE DEHYDROGENASE FRO ESCHERICHIA COLI ESCHERICHIA COLI LIPOAMIDE DEHYDROGENASE (E3); PYRUVATE DEHYDROGENASE OXIDOR
Ref.: INSIGHT TO THE INTERACTION OF THE DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2) CORE WITH THE PERIPHERAL COM IN THE ESCHERICHIA COLI PYRUVATE DEHYDROGENASE COMP MULTIFACETED STRUCTURAL APPROACHES. J.BIOL.CHEM. V. 288 15402 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4JDR - 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 8 families.
1 4JDR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3GRT - TS2 C27 H47 N9 O10 S2 C1CCNC(=O)....
2 4M52 Ki = 140 nM M52 C15 H17 Br N4 O4 S C[N@@](CC(....
3 1ZK7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 1ZX9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 4JDR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1LVL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 5U8W Kd = 84 mM 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 : 4JDR; Ligand: FAD; Similar sites found: 488
This union binding pocket(no: 1) in the query (biounit: 4jdr.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KVS NAP 0.01096 0.40449 1.03896
2 5MBX SP5 0.000000175 0.54992 1.26582
3 5MBX FAD 0.000000175 0.54992 1.26582
4 3S5W FAD 0.0000001208 0.49959 1.2959
5 5LB3 ADP 0.03656 0.41302 1.34831
6 3QVP FAD 0.0000003294 0.527 1.47679
7 5EB4 FAD 0.0000006072 0.51191 1.47679
8 1U8X NAD 0.006896 0.40789 1.48305
9 1I0Z NAI 0.0001066 0.40708 1.5015
10 1V6A TRE 0.0005923 0.51812 1.50602
11 5G3U FDA 0.0000000465 0.54197 1.65485
12 5G3U ITW 0.0000003999 0.52561 1.65485
13 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.02091 0.42861 1.66667
14 1H2B NAJ 0.0002112 0.40838 1.67131
15 2BH9 NAP 0.008617 0.43059 1.68776
16 2YJP CYS 0.0493 0.41145 1.71821
17 4DMG SAM 0.002349 0.4671 1.78117
18 4IV9 FAD 0.0000001234 0.53492 1.89873
19 5HSA FAS 0.000001544 0.50151 1.89873
20 1V8B NAD 0.0001073 0.42679 1.89873
21 2P4Q FLC 0.04469 0.41771 1.89873
22 1X87 NAD 0.00002071 0.40551 1.89873
23 3L9W AMP 0.00003993 0.42226 1.93705
24 3L9W GSH 0.00009 0.4048 1.93705
25 5MZI FAD 0.0000003855 0.45313 1.95228
26 5MZI FYK 0.0000004209 0.44894 1.95228
27 3LST SAH 0.02839 0.40826 2.01149
28 1JQ3 AAT 0.0005263 0.43619 2.02703
29 3B1F NAD 0.00001076 0.40703 2.06897
30 5D1R 56S 0.02563 0.41393 2.09205
31 2WET FAD 0.00000007318 0.54587 2.1097
32 1GPE FAD 0.0000002182 0.50963 2.1097
33 3OND NAD 0.000363 0.42841 2.1097
34 3OND ADN 0.000363 0.42841 2.1097
35 1QMG APX 0.005175 0.42135 2.1097
36 4JBI NDP 0.009858 0.40391 2.16216
37 5UAV NDP 0.0001966 0.418 2.17391
38 5UAV TFB 0.0001966 0.418 2.17391
39 3ABI NAD 0.0001811 0.46297 2.19178
40 2C7G FAD 0.00000000512 0.6049 2.19298
41 2C7G ODP 0.00000001235 0.59015 2.19298
42 4CJX NAP 0.00008082 0.49171 2.19436
43 2FK8 SAM 0.009299 0.41593 2.20126
44 1EZ4 NAD 0.00007711 0.40084 2.20126
45 5VKT NAP 0.002672 0.41694 2.20994
46 2B5W NAP 0.002002 0.40974 2.2409
47 4TM3 FAD 0.000001656 0.52805 2.25734
48 3WBF NAP 0.0001219 0.40061 2.29508
49 3NJ4 NAD 0.001972 0.43667 2.29885
50 3NJ4 AFX 0.004465 0.42291 2.29885
51 2R4J 13P 0.0000006005 0.52881 2.32068
52 2R4J FAD 0.0000006005 0.52881 2.32068
53 1N4W FAD 0.000001136 0.50885 2.32068
54 4XFR CIT 0.005887 0.46521 2.34192
55 1RYI FAD 0.0000004134 0.52068 2.35602
56 4MDH NAD 0.004497 0.41298 2.39521
57 5X62 SAH 0.00244 0.45334 2.46305
58 5H81 NAP 0.0003149 0.47827 2.57069
59 4K28 NAD 0.00009437 0.48888 2.60223
60 3JV7 NAD 0.0002041 0.46093 2.6087
61 3V1Y NAD 0.00001659 0.41797 2.67062
62 1R6D NAD 0.002603 0.4033 2.67062
63 1R6D DAU 0.002566 0.40271 2.67062
64 3G2O SAM 0.001459 0.45995 2.67559
65 2AHR NAP 0.005384 0.40732 2.7027
66 2RGJ FAD 0.00000002336 0.52842 2.73632
67 4HA6 FAD 0.000000514 0.52048 2.74262
68 2DT5 NAD 0.00006774 0.40956 2.8436
69 2F1K NAP 0.00001145 0.52287 2.86738
70 3DMH SAM 0.002213 0.44414 2.88714
71 3DMH GMP 0.006014 0.40783 2.88714
72 2B4R NAD 0.00004443 0.42158 2.89855
73 2B4R AES 0.00012 0.40534 2.89855
74 1UXG NAD 0.0001398 0.42769 2.91262
75 1Y1P NMN AMP PO4 0.01517 0.40092 2.92398
76 3TLJ SAH 0.003977 0.42634 2.94906
77 1D1T NAD 0.0002364 0.40298 2.94906
78 1PN0 IPH 0.00000002421 0.57299 2.95359
79 1PN0 FAD 0.00000002194 0.57298 2.95359
80 5WGR FAD 0.000000108 0.54415 2.95359
81 3GDN HBX 0.000002158 0.50835 2.95359
82 3GDN FAD 0.000001067 0.50834 2.95359
83 4MOP 2H5 0.0000001524 0.48734 2.95359
84 3ZGE ASP 0.04011 0.40546 2.95359
85 1DSS NAD 0.000006211 0.42677 3.003
86 1CER NAD 0.000105 0.48308 3.02115
87 2VYN NAD 0.00002043 0.42305 3.02115
88 2JJQ SAH 0.008568 0.43444 3.05882
89 4BJZ P3A 0.000001415 0.53234 3.06604
90 3U31 NAD 0.003994 0.42934 3.10345
91 5DX8 SFG 0.006621 0.41668 3.15186
92 5DXA SFG 0.007099 0.41536 3.15186
93 4MIG G3F 0.0000002154 0.54035 3.16456
94 1M2W NAD 0.003032 0.43148 3.16456
95 5EOW FAD 0.00000002878 0.52929 3.20988
96 3SJU NDP 0.002948 0.41278 3.22581
97 5JE0 AZ8 0.005283 0.40294 3.23887
98 5JE0 SAH 0.005283 0.40294 3.23887
99 4XDY NAI 0.0003848 0.45976 3.25444
100 5ULP KB1 0.008844 0.4085 3.35821
101 1COY FAD 0.0000005431 0.51671 3.37553
102 1COY AND 0.000002411 0.5123 3.37553
103 3Q9T FAY 0.000005036 0.47555 3.37553
104 5EVY FAD 0.000006397 0.54799 3.42466
105 2XVF FAD 0.0000001015 0.52622 3.44828
106 4NTC FAD 0.000000001872 0.5992 3.58209
107 4REP FAD 0.00000002671 0.55311 3.63636
108 2XVE FAD 0.000001016 0.52874 3.66379
109 1E1M NAP 0.000000003481 0.60794 3.69565
110 1E1M FAD 0.000000003481 0.60794 3.69565
111 3OFK SAH 0.002197 0.44086 3.7037
112 1XDS SAM 0.01378 0.42409 3.74332
113 5TVA AMP 0.02964 0.4142 3.75
114 3AYI FAD 0.00000009727 0.55626 3.79747
115 3AYI HCI 0.0000001082 0.55594 3.79747
116 2AQJ FAD 0.0000003467 0.54418 3.79747
117 1KNR FAD 0.00000006687 0.54372 3.79747
118 2AQJ TRP 0.0000003431 0.54321 3.79747
119 2QA1 FAD 0.000000001982 0.62878 3.8
120 2CDC XYP 0.001737 0.41696 3.82514
121 2CDC XYS 0.002348 0.41227 3.82514
122 2CDC NAP 0.002348 0.41227 3.82514
123 2IXB NAD 0.000956 0.43175 3.82883
124 2IXB A2G 0.002456 0.40013 3.82883
125 3G5S FAD 0.000000004579 0.56807 3.83747
126 1NF8 BOG 0.04934 0.4081 3.86473
127 4GKV NAD 0.0003509 0.4042 3.86905
128 2CUL FAD 0.00000002853 0.535 3.87931
129 1MV8 NAD 0.000009598 0.42505 3.89908
130 1MUU NAD 0.00001215 0.41734 3.89908
131 1HDG NAD 0.0003189 0.46665 3.91566
132 1J0X NAD 0.0002376 0.4305 3.91566
133 5FJN BE2 0.0000001743 0.5393 3.94737
134 5FJN FAD 0.0000001341 0.53864 3.94737
135 2IVD FAD 0.00000003239 0.57976 4.00844
136 3NYC FAD 0.0000001755 0.54607 4.00844
137 1Y8Q ATP 0.000006429 0.54282 4.00844
138 4AP3 NAP 0.0000005942 0.53699 4.00844
139 2JB2 FAD 0.000000295 0.53316 4.00844
140 3WE0 FAD 0.0000003147 0.52768 4.00844
141 2JB2 PHE 0.0000003615 0.52633 4.00844
142 3NYC IAR 0.0000001755 0.49006 4.00844
143 4AP3 FAD 0.0000005942 0.4462 4.00844
144 5M67 3D1 0.0002926 0.43262 4.00844
145 5M67 NAD 0.0003126 0.43163 4.00844
146 1UWK NAD 0.000289 0.42976 4.00844
147 1UWK URO 0.000289 0.42976 4.00844
148 5M67 ADE 0.0004645 0.42571 4.00844
149 2X3N FAD 0.000000146 0.52036 4.01003
150 2Y6Q I7T 0.0000001901 0.53945 4.0201
151 2Y6Q FAD 0.000000009733 0.53444 4.0201
152 1A5Z NAD 0.000006947 0.41164 4.07523
153 1G55 SAH 0.01463 0.40985 4.08163
154 4JNA FAD 0.000000007982 0.57985 4.11765
155 3OJO NAD 0.000001376 0.43102 4.17633
156 1Q9I TEO 0.00000003216 0.49118 4.20315
157 1Q9I FAD 0.00000003216 0.49118 4.20315
158 4TXI FAD 0.000000002125 0.6448 4.21941
159 2BRY FAD 0.000000001505 0.56337 4.21941
160 2DKH FAD 0.00000000323 0.55353 4.21941
161 2DKH 3HB 0.00000003976 0.54671 4.21941
162 3UCL NAP 0.0000009905 0.53611 4.21941
163 3UCL CYH 0.0000008401 0.53577 4.21941
164 3UCL FAD 0.0000008401 0.53577 4.21941
165 1NAA ABL 0.0000006338 0.5292 4.21941
166 1NAA 6FA 0.0000003704 0.52528 4.21941
167 1WDK NAD 0.000008324 0.41343 4.21941
168 3A28 NAD 0.006888 0.40071 4.26357
169 1KOL NAD 0.0001699 0.41923 4.27136
170 3FPZ AHZ 0.0006872 0.47061 4.29448
171 3GMB FAD 0.00000002192 0.53395 4.33735
172 1T26 NAI 0.001363 0.40386 4.34783
173 3WLE NAD 0.0003028 0.41186 4.39883
174 5U5G NAP 0.0009035 0.43837 4.40678
175 1DL5 SAH 0.001238 0.43877 4.4164
176 3E1T FAD 0.000000004008 0.59166 4.43038
177 3NKS FAD 0.0000001211 0.55484 4.43038
178 4EIP K2C 0.0000001692 0.54118 4.43038
179 1REO FAD 0.00000008285 0.53711 4.43038
180 4EIP FAD 0.0000001692 0.50725 4.43038
181 5BUK FAD 0.00000001269 0.5764 4.44444
182 4COQ SAN 0.04961 0.41341 4.45344
183 3GGO NAI 0.001543 0.40101 4.4586
184 3GGO ENO 0.001543 0.40101 4.4586
185 1NVM NAD 0.0002433 0.40518 4.48718
186 5TTJ FAD 0.0000001154 0.5472 4.4898
187 2Q1W NAD 0.0001623 0.40936 4.5045
188 1NPD NAD 0.0004621 0.4634 4.51389
189 1EQ2 NAP 0.00268 0.41947 4.51613
190 1E3I CXF 0.0003214 0.43608 4.52128
191 1HYH NAD 0.00004266 0.42224 4.53074
192 2DFV NAD 0.00006032 0.40684 4.61095
193 1YY5 FAD 0.000000004008 0.59337 4.64135
194 4FWE FAD 0.000000007497 0.58248 4.64135
195 1RSG FAD 0.00000001573 0.56994 4.64135
196 3UOY NAP 0.0000008984 0.53668 4.64135
197 4D04 NAP 0.000001441 0.5254 4.64135
198 4K5S FAD 0.0000000304 0.52534 4.64135
199 4K5S PM0 0.0000006785 0.52321 4.64135
200 4D04 FAD 0.000001441 0.42949 4.64135
201 3UOY FAD 0.0000008984 0.42376 4.64135
202 5BVA FAD 0.000000001068 0.5866 4.64548
203 1VKO NAD 0.002859 0.41088 4.65549
204 3LU1 NAD 0.0002607 0.40022 4.67033
205 3CIF NAD 0.0000236 0.42258 4.73538
206 3CIF G3H 0.0002595 0.40458 4.73538
207 2VHW NAI 0.00005694 0.4338 4.77454
208 4X9M FAD 0.00000006076 0.55263 4.78469
209 4GUS FAD 0.00000001087 0.57868 4.83871
210 4GUT FAD 0.00000001432 0.57779 4.83871
211 4HSU FAD 0.00000003476 0.56157 4.83871
212 2IID FAD 0.0000001926 0.4776 4.85232
213 2IID PHE 0.0000001926 0.4776 4.85232
214 5TUK FAD 0.00000004625 0.61583 4.90196
215 5I39 FAD 0.0000001238 0.55027 4.90196
216 1C0I BE2 0.007415 0.40946 4.95868
217 1C0I FAD 0.007415 0.40946 4.95868
218 1DLJ NAI 0.0001367 0.44499 4.97512
219 1DLJ UGA 0.0003626 0.43037 4.97512
220 1GEE NAD 0.003202 0.41383 4.98084
221 1LTH NAD 0.00001608 0.41254 5.01567
222 3HDY GDU 0.000001355 0.52635 5.03778
223 3HDY FDA 0.000001268 0.52635 5.03778
224 3HDY FAD 0.00000133 0.52562 5.03778
225 1BW9 NAD 0.00004424 0.51605 5.05618
226 4ZCC FAD 0.00000006472 0.50385 5.05952
227 4ZCC NAI 0.00000006472 0.50385 5.05952
228 1QO8 FAD 0.000000006719 0.58236 5.06329
229 4AT0 FAD 0.0000001974 0.54028 5.06329
230 5UAO FAD 0.00000005933 0.538 5.06329
231 4C3Y FAD 0.0000006593 0.51389 5.06329
232 4C3Y ANB 0.000002254 0.50277 5.06329
233 1LDN NAD 0.00004241 0.42309 5.06329
234 1C1X NAD 0.00006047 0.49299 5.07042
235 2YG3 FAD 0.00000001774 0.5629 5.07726
236 2E5V FAD 0.00000002214 0.5666 5.08475
237 4YCA NDP 0.00002924 0.50604 5.10204
238 1DXY NAD 0.00003041 0.40996 5.1051
239 1SB8 NAD 0.002101 0.40227 5.11364
240 1SB8 UD2 0.002641 0.40227 5.11364
241 4CNK FAD 0.00000000807 0.56501 5.11509
242 4ZRN NAD 0.001128 0.42125 5.12821
243 4ZFL 4NK 0.01668 0.4017 5.12821
244 1VL8 NAP 0.00267 0.40967 5.24345
245 4RPL FAD 0.0000003402 0.5488 5.26316
246 4USR FAD 0.00000001065 0.5417 5.26316
247 4RPL 3UC 0.0000006811 0.54101 5.26316
248 1PS9 FAD 0.00000000004467 0.65354 5.27426
249 1O94 ADP 0.00000000006097 0.55084 5.27426
250 5TS5 FAD 0.00000005353 0.55041 5.27426
251 1DJN ADP 0.00000000009231 0.53785 5.27426
252 3AXB PRO 0.0000002193 0.53146 5.27426
253 3AXB FAD 0.00000007508 0.53034 5.27426
254 1PS9 NAP 0.0000271 0.4114 5.27426
255 1YKJ FAD 0.0000007831 0.53484 5.32995
256 1YKJ PHB 0.0000007831 0.4397 5.32995
257 4XYB NDP 0.001567 0.41597 5.37084
258 3WXB NDP 0.006142 0.40039 5.37634
259 4PLG NAI 0.00045 0.40901 5.38922
260 3GDH SAH 0.001027 0.44857 5.39419
261 4MO2 FDA 0.00000007944 0.56132 5.43478
262 4MO2 FAD 0.00000007782 0.55731 5.43478
263 1I8T FAD 0.0000001272 0.53083 5.44959
264 1GEG NAD 0.007075 0.40025 5.46875
265 4USQ FAD 0.000000008766 0.5492 5.54017
266 5F8F SFG 0.006936 0.43521 5.57029
267 4EI7 GDP 0.008021 0.41588 5.65553
268 2Z3Y F2N 0.00000001689 0.57056 5.6962
269 4DSG UDP 0.0000008273 0.5319 5.6962
270 4Z24 FAD 0.0000002024 0.52569 5.6962
271 2RGH FAD 0.0000006839 0.51012 5.6962
272 2RGO FAD 0.0000004128 0.50718 5.6962
273 4DSG FAD 0.0000008273 0.44464 5.6962
274 1H82 GZZ 0.00000005094 0.57599 5.72034
275 1H82 FAD 0.00000003421 0.49504 5.72034
276 2Q0L FAD 0.0000000003126 0.62523 5.78778
277 5CAE COA 0.0006802 0.45622 5.82278
278 5CAE SIN 0.004008 0.40303 5.82278
279 2Q1S NAI 0.0003717 0.42394 5.83554
280 5JDC NAP 0.002223 0.42272 5.90278
281 3JQ7 NAP 0.008377 0.40196 5.90278
282 2GMH FAD 0.000000005101 0.58461 5.90717
283 1ELI PYC 0.00003076 0.44957 5.9126
284 1YKF NAP 0.0001775 0.40034 5.96591
285 1J49 NAD 0.0001213 0.40142 6.00601
286 1D4D FAD 0.00000001065 0.57733 6.11814
287 3IHG FAD 0.00000001874 0.50971 6.11814
288 2B9W FAD 0.00000008668 0.56184 6.13208
289 4OPC PGT 0.0000004186 0.57374 6.18102
290 4OPC FDA 0.0000003177 0.5734 6.18102
291 2I3G NAP 0.0007809 0.43515 6.25
292 4J36 FAD 0.000000009439 0.54062 6.26506
293 4J36 1HR 0.0000001666 0.537 6.26506
294 4RSL FAD 0.000002101 0.51462 6.29213
295 4YNU FAD 0.0000004523 0.5238 6.32911
296 4YNU LGC 0.0000007109 0.52252 6.32911
297 3FPF TNA 0.0005167 0.42145 6.37584
298 3FPF MTA 0.0005167 0.41187 6.37584
299 1SOW NAD 0.0001753 0.40735 6.40244
300 4DPL NAP 0.002314 0.4194 6.40669
301 5FI3 NAP 0.00588 0.40342 6.44258
302 1GV0 NAD 0.00007742 0.4102 6.45161
303 1GUZ NAD 0.00007478 0.4056 6.45161
304 5HJM MTA 0.004278 0.43453 6.53409
305 5MQ6 NDP 0.0000942 0.49714 6.54008
306 5J60 FAD 0.0000000002067 0.62664 6.5625
307 5JE8 NAD 0.0003301 0.46602 6.62252
308 3ZNN FAD 0.0000008986 0.52736 6.62824
309 3ZNN 4WL 0.0000008986 0.52736 6.62824
310 3WGT FAD 0.0000006648 0.52221 6.62824
311 3WGT QSC 0.0000007608 0.5215 6.62824
312 5KMS FAD 0.0000000008548 0.63651 6.91358
313 5KMS NAD 0.00000002664 0.48637 6.91358
314 3H9E NAD 0.00004052 0.40737 6.93642
315 3K7M FAD 0.0000001851 0.48125 7.173
316 3JUC PCA 0.01971 0.42199 7.18954
317 2EV9 SKM 0.0007669 0.43271 7.22433
318 1ZEM NAD 0.0006849 0.44941 7.25191
319 3QV1 NAD 0.00006349 0.40001 7.31707
320 2XEM SSV 0.03601 0.40972 7.33333
321 3GF4 FAD 0.000002437 0.44911 7.4359
322 3GF4 UPG 0.000001849 0.44201 7.4359
323 1OC2 NAD 0.001578 0.4125 7.47126
324 3LZW NAP 0.000000001909 0.6227 7.53012
325 3LZW FAD 0.0000000001628 0.62049 7.53012
326 4XZ3 COA 0.004401 0.42442 7.5431
327 1GTE FAD 0.00000001813 0.59073 7.59494
328 5HS2 CTP 0.01028 0.42684 7.75862
329 2ZXI FAD 0.00000001063 0.55704 7.80591
330 3OZ2 FAD 0.000000007328 0.5753 7.80856
331 4YSX FAD 0.000000008887 0.58099 7.97872
332 1JNR FAD 0.00000009858 0.57725 8
333 2GAG NAD 0.00000000002641 0.64026 8.08081
334 2GAG FAD 0.000001853 0.50438 8.08081
335 2GAG FOA 0.000003137 0.4966 8.08081
336 5AYV KPL 0.0003034 0.40932 8.09062
337 1HKU NAD 0.0001896 0.45899 8.10056
338 4D7E FAD 0.000004994 0.5011 8.15851
339 1LDM NAD 0.0001451 0.40551 8.20669
340 2NXE SAM 0.004276 0.43801 8.26772
341 1B74 DGN 0.02535 0.42232 8.26772
342 5MPT SAH 0.01592 0.41111 8.45411
343 3OA2 NAD 0.001971 0.42481 8.49057
344 4J4H NAI 0.02009 0.40642 8.49421
345 4J4H 1J1 0.01249 0.40039 8.49421
346 1VQW FAD 0.00000001778 0.5321 8.53392
347 1E6E FAD 0.0000000008954 0.58779 8.59375
348 5FA8 SAM 0.006427 0.41725 8.69565
349 2GV8 FAD 0.00000002105 0.53482 8.72483
350 2GVC FAD 0.00000001514 0.53468 8.72483
351 3AD8 NAD 0.0000000000856 0.60693 8.86699
352 3AD8 FAD 0.000003692 0.51367 8.86699
353 3AD8 PYC 0.000003692 0.41582 8.86699
354 4YRY FAD 0.0000000006599 0.6072 8.97436
355 4YRY NAD 0.000000002483 0.53302 8.97436
356 5J7X FAD 0.0000002421 0.54009 9.10747
357 3T31 FAD 0.00000003723 0.5734 9.38215
358 3T31 DCQ 0.00000004404 0.5734 9.38215
359 5EZ7 FAD 0.0000001113 0.54774 9.43878
360 3VPH OXM 0.00003526 0.43725 9.67742
361 3VPH NAD 0.00008921 0.41966 9.67742
362 2VDV SAM 0.001386 0.47398 9.7561
363 2HJR APR 0.00002462 0.40294 9.7561
364 1RP0 AHZ 0.000000005514 0.53901 9.85915
365 3QJ4 FAD 0.00000003186 0.57086 9.94152
366 1P1C SAH 0.00001507 0.40545 10.0503
367 3HAD NAD 0.0009651 0.41479 10.0649
368 3BAZ NAP 0.001213 0.44225 10.2102
369 5ODQ FAD 0.0000000005005 0.61145 10.3261
370 3CTY FAD 0.00000000003279 0.66411 10.3448
371 4U8P FDA 0.000001406 0.42241 10.7595
372 4U8P UDP 0.000001582 0.41637 10.7595
373 4YMH SAH 0.0002782 0.48482 10.8333
374 1RPN NDP 0.003049 0.40982 11.0448
375 1EJ4 M7G 0.04687 0.413 11.0526
376 1PZG A3D 0.002679 0.40086 11.7825
377 5N53 8NB 0.003812 0.47325 11.7949
378 3GFB NAD 0.0001619 0.47172 12
379 2I7C AAT 0.0005004 0.40034 12.0141
380 1LSS NAD 0.0000005723 0.4296 12.1429
381 4RDH AMP 0.00002123 0.55807 12.1528
382 3HVJ 705 0.0005923 0.40441 12.2172
383 2HMT NAI 0.000000484 0.43726 12.5
384 4D79 ATP 0.0000204 0.54694 12.6812
385 3JQA NAP 0.001983 0.42746 12.8472
386 4CMI NAP 0.002025 0.42434 12.8472
387 5JCJ NAP 0.002117 0.42357 12.8472
388 3JQF NAP 0.001896 0.42281 12.8472
389 4CM8 NAP 0.002282 0.42226 12.8472
390 4CM4 NAP 0.002725 0.41917 12.8472
391 4CME NAP 0.004662 0.40983 12.8472
392 4CLO NAP 0.005861 0.40829 12.8472
393 5TUF FAD 0.00000008023 0.58462 13.2029
394 5TUF TDC 0.0000004543 0.4517 13.2029
395 9LDB NAD 0.00004092 0.42206 13.253
396 9LDT NAD 0.00004273 0.42197 13.253
397 5E8J SAH 0.007321 0.43786 13.6364
398 1Z82 NDP 0.003628 0.41678 13.7313
399 4NEC SAH 0.03051 0.40353 14.3939
400 4G74 FAD 0.000000002791 0.57294 14.9402
401 4G74 UQ5 0.00000002226 0.57276 14.9402
402 5L95 AMP 0.00001723 0.54474 15
403 1E6W NAD 0.00506 0.406 15
404 1H5Q NAP 0.00287 0.41827 15.0943
405 4II2 ATP 0.00001688 0.40039 15.6627
406 4WZ6 ATP 0.03568 0.41988 15.8621
407 5LD5 NAD 0.0002575 0.47813 16.4804
408 1KPG SAH 0.008886 0.4139 16.7247
409 5BR7 FAD 0.0000003446 0.45058 16.7939
410 5BR7 FLC 0.0000005162 0.44557 16.7939
411 5GZ6 NDP 0.0002072 0.4906 17.1779
412 5GZ6 7C3 0.0004253 0.46864 17.1779
413 1VDC FAD 0.00000000801 0.58797 17.7177
414 2VVM FAD 0.00000005435 0.54678 17.9325
415 2VVL FAD 0.00000008839 0.54312 17.9325
416 4ZI2 GNP 0.02055 0.40026 18.0451
417 5IDB BMA 0.04031 0.40537 18.3099
418 5IDB MAN 0.04031 0.40537 18.3099
419 3ITJ FAD 0.000000002449 0.6072 18.3432
420 5JCM NAD 0.000000002788 0.6246 18.6253
421 5JCM FAD 0.000000002575 0.6246 18.6253
422 5JCM ISD 0.000000002788 0.6246 18.6253
423 4BV6 FAD 0.0000000003302 0.62444 18.7764
424 3GD4 NAD 0.000000003751 0.62909 19.4093
425 3GD4 FAD 0.000000001884 0.6229 19.4093
426 3F8D FAD 0.00000003302 0.59154 19.5046
427 3LXD FAD 0.0000000005755 0.58869 19.759
428 5JWC FAD 0.000000001394 0.63436 20.4641
429 2CDU FAD 0.00000000008233 0.62065 20.5752
430 2CDU ADP 0.0000000444 0.43725 20.5752
431 1Q1R FAD 0.0000000002505 0.61023 20.8817
432 5E5U MLI 0.02044 0.42501 21.1055
433 4EMI NAD 0.0000000009945 0.63542 21.7073
434 4EMI FAD 0.0000000001623 0.62044 21.7073
435 4EMJ FAD 0.0000000003056 0.61638 21.7073
436 2YVF NAD 0.000000006337 0.60817 22.549
437 2YVF FAD 0.000000005839 0.60817 22.549
438 2YVJ FAD 0.0000000004935 0.60017 22.549
439 2YVJ NAI 0.0000001543 0.43328 22.549
440 3FG2 FAD 0.0000000003541 0.58469 22.7723
441 2VOH CIT 0.02008 0.43356 23.0769
442 2V3B FAD 0.0000000001274 0.61921 24.7396
443 2V3A FAD 0.0000000001829 0.61902 24.7396
444 4NTD FAD 0.000000005613 0.57088 25.2941
445 1YQZ FAD 0.00000001466 0.59275 26.0274
446 3CGB FAD 0.0000000001171 0.62047 27.0042
447 5VN0 FAD 0.0000000001504 0.65211 27.8481
448 5VN0 NAI 0.000000007426 0.49977 27.8481
449 3CGD COA 0.000000005108 0.62732 28.0591
450 3CGD FAD 0.000000005108 0.62732 28.0591
451 3CGD NAD 0.000000005108 0.62732 28.0591
452 3ICR FAD 0.00000000008305 0.62492 29.1139
453 3ICS FAD 0.0000000001278 0.62412 29.1139
454 3ICT FAD 0.0000000004946 0.6003 29.1139
455 3ICT ADP 0.000000008791 0.42431 29.1139
456 3ICS ADP 0.00000001001 0.42413 29.1139
457 3NT6 FAD 0.000000001012 0.595 29.7468
458 3NTA FAD 0.000000001217 0.59254 29.7468
459 5JCA FAD 0.0000000003563 0.62526 29.9578
460 5JCA NDP 0.000000002162 0.62477 29.9578
461 3NTD FAD 0.000000000923 0.59631 31.2236
462 1XHC FAD 0.000000000004949 0.65718 31.6076
463 2NPX FAD 0.0000000003686 0.644 34.2282
464 2NPX NAD 0.000000002263 0.51372 34.2282
465 5FA5 MTA 0.0007637 0.48207 35
466 3AB1 FAD 0.00000000008347 0.6397 36.1111
467 2Q7V FAD 0.0000000001503 0.63589 38.4615
468 3KLJ FAD 0.000000000009684 0.633 39.2208
469 2V6O FAD 0.000000000001691 0.53912 40.7173
470 1FL2 FAD 0.0000000003246 0.61581 41.2903
471 4UP3 FAD 0.0000000007831 0.60772 41.4013
472 1TDF NAP 0.000000004641 0.62245 41.7722
473 1TDF FAD 0.0000000007593 0.62134 41.7722
474 3QFA FAD 0.000000000000007883 0.76926 41.8112
475 4J56 FAD 0.00000000000001099 0.7819 42.616
476 1MO9 FAD 0.000000000005141 0.73873 42.827
477 1MO9 KPC 0.000000000006944 0.73514 42.827
478 1FEC FAD 0.000000000000007327 0.79255 44.0928
479 2NVK FAD 0.00000000000004707 0.75326 44.5148
480 1BZL FAD 0.0000000000009139 0.78187 45.5696
481 2WPF FAD 0.0000000000000846 0.81971 45.9916
482 2WPF WPF 0.0000000000001285 0.81633 45.9916
483 2RAB FAD 9.992e-16 0.81692 46.6523
484 2RAB NAD 0.00000000000001332 0.81692 46.6523
485 3SQP FAD 0.0000000000006728 0.83017 46.8619
486 1GET FAD 0.00000000000002576 0.80668 47.1111
487 1GET NAP 0.00000000000003164 0.80668 47.1111
488 2HQM FAD 0.00000000000001299 0.77457 48.3122
Pocket No.: 2; Query (leader) PDB : 4JDR; 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: 4jdr.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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