Receptor
PDB id Resolution Class Description Source Keywords
5U8U 1.35 Å EC: 1.8.1.4 DIHYDROLIPOAMIDE DEHYDROGENASE (LPDG) FROM PSEUDOMONAS AERUG PSEUDOMONAS AERUGINOSA (STRAIN UCBPP-PORGANISM_TAXID: 208963 DIHYDROLIPOAMIDE DEHYDROGENASE OXIDOREDUCTASE NAD(H) BINDI
Ref.: THE PYRUVATE AND ALPHA-KETOGLUTARATE DEHYDROGENASE OF PSEUDOMONAS AERUGINOSA CATALYZE PYOCYANIN AND PHENAZINE-1-CARBOXYLIC ACID REDUCTION VIA THE SUBUN DIHYDROLIPOAMIDE DEHYDROGENASE. J. BIOL. CHEM. V. 292 5593 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD D:501;
B:501;
C:501;
A:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 84 mM
785.55 C27 H33 N9 O15 P2 Cc1cc...
DMS A:508;
D:502;
A:506;
A:505;
C:506;
B:512;
A:503;
D:503;
C:505;
D:509;
B:506;
C:504;
A:507;
C:507;
A:509;
D:511;
B:503;
B:504;
C:503;
C:510;
D:507;
C:502;
B:511;
B:507;
B:508;
D:508;
D:510;
C:509;
C:511;
D:504;
C:508;
A:502;
D:506;
B:505;
B:510;
A:504;
B:502;
B:509;
D:505;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5U8U 1.35 Å EC: 1.8.1.4 DIHYDROLIPOAMIDE DEHYDROGENASE (LPDG) FROM PSEUDOMONAS AERUG PSEUDOMONAS AERUGINOSA (STRAIN UCBPP-PORGANISM_TAXID: 208963 DIHYDROLIPOAMIDE DEHYDROGENASE OXIDOREDUCTASE NAD(H) BINDI
Ref.: THE PYRUVATE AND ALPHA-KETOGLUTARATE DEHYDROGENASE OF PSEUDOMONAS AERUGINOSA CATALYZE PYOCYANIN AND PHENAZINE-1-CARBOXYLIC ACID REDUCTION VIA THE SUBUN DIHYDROLIPOAMIDE DEHYDROGENASE. J. BIOL. CHEM. V. 292 5593 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 5U8U Kd = 84 mM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5U8W Kd = 84 mM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5U8V Kd = 84 mM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3LAD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5U8U Kd = 84 mM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5U8W Kd = 84 mM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5U8V Kd = 84 mM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1GRE - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 3DK4 - GSH GSH n/a n/a
3 2GH5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 1BWC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 3II4 Ki = 865 nM 3II C32 H34 Cl2 N4 O5 COc1ccc(c(....
6 2WOV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 2WOI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 1V59 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1JEH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 5U8U 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 : 5U8U; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5u8u.bio1) has 62 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5U8U; Ligand: FAD; Similar sites found: 526
This union binding pocket(no: 2) in the query (biounit: 5u8u.bio1) has 63 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HI4 BHF 0.02228 0.42225 1.0395
2 3A27 SAM 0.002366 0.46745 1.10294
3 3MJE NDP 0.01395 0.40413 1.2474
4 3BGD SAH 0.01115 0.42256 1.53846
5 3BGD PM6 0.0189 0.40274 1.53846
6 4KRI SAH 0.01206 0.42651 1.61663
7 4N49 SAM 0.01779 0.41843 1.63551
8 1GPE FAD 0.000002359 0.50717 1.6632
9 3QVP FAD 0.000002143 0.42717 1.6632
10 5EB4 FAD 0.000007681 0.40858 1.6632
11 4GKV NAD 0.002238 0.42764 1.78571
12 4BVA NDP 0.0003656 0.46718 1.79104
13 4BVA T3 0.001004 0.43195 1.79104
14 4EUE NAI 0.001756 0.43663 1.91388
15 5DN9 NAD 0.001188 0.44096 1.92308
16 3LU1 NAD 0.004835 0.42341 1.92308
17 1GUZ NAD 0.0001597 0.48858 1.93548
18 3VYW SAM 0.0008142 0.4822 1.94805
19 2I3G NAP 0.001053 0.4483 1.98864
20 3VSE SAH 0.009554 0.4519 2.01005
21 2QRK AMP 0.004564 0.40741 2.03046
22 2AOT SAH 0.003104 0.46939 2.05479
23 1JQD SAH 0.01682 0.4028 2.05479
24 2WET FAD 0.0000003439 0.44266 2.079
25 1QMG APX 0.007762 0.42982 2.079
26 3GDN HBX 0.00001569 0.42139 2.079
27 3GDN FAD 0.000007609 0.41238 2.079
28 5JJR SAH 0.03691 0.40833 2.079
29 2IVD FAD 0.0000002456 0.57479 2.09205
30 1NV8 MEQ 0.002613 0.43984 2.11268
31 1NV8 SAM 0.002648 0.43692 2.11268
32 1VQW FAD 0.0000001411 0.42426 2.18818
33 4USQ FAD 0.0004708 0.40437 2.21607
34 1LJ8 NAD 0.007988 0.43208 2.23124
35 1M2W NAD 0.008773 0.42737 2.23124
36 2GV8 FAD 0.0000002007 0.58695 2.23714
37 2GV8 NDP 0.00008252 0.51617 2.23714
38 2GVC FAD 0.0000001437 0.42435 2.23714
39 3T7S SAM 0.01704 0.42507 2.23881
40 2ZJ1 NAD 0.001858 0.40002 2.2869
41 3FWN ATR 0.001931 0.43017 2.29167
42 3G2O SAM 0.004449 0.45392 2.34114
43 3FPF MTA 0.001665 0.42166 2.34899
44 3FPF TNA 0.001665 0.42166 2.34899
45 2C29 NAP 0.01305 0.40749 2.37389
46 2CVZ NDP 0.004797 0.43106 2.42215
47 1TPY SAH 0.01762 0.41596 2.43902
48 3H2B SAH 0.0096 0.43426 2.46305
49 3ABI NAD 0.0004785 0.46534 2.46575
50 2FR1 NDP 0.00267 0.42926 2.4948
51 1OBB NAD 0.007492 0.42778 2.5
52 4DPL NAP 0.002864 0.43291 2.50696
53 5KOK SAH 0.03401 0.40745 2.51889
54 1MUU NAD 0.00002842 0.53264 2.52294
55 1MV8 NAD 0.00003545 0.52419 2.52294
56 1N6B DMZ 0.04843 0.40781 2.537
57 1YKF NAP 0.0004356 0.46704 2.55682
58 4EI7 GDP 0.02995 0.4027 2.57069
59 1EQ2 NAP 0.006047 0.41935 2.58065
60 3ZNN FAD 0.000006086 0.44066 2.59366
61 3ZNN 4WL 0.000006086 0.44066 2.59366
62 1ORR NAD 0.006538 0.41135 2.59366
63 5G3U ITW 0.000003266 0.4282 2.60047
64 5G3U FDA 0.00000106 0.4246 2.60047
65 1E1M FAD 0.0000000001446 0.55953 2.6087
66 1E1M NAP 0.0000000001446 0.55953 2.6087
67 2Y7I ARG 0.04417 0.41937 2.62009
68 2C7G FAD 0.000005833 0.48504 2.63158
69 2C7G ODP 0.000007454 0.48067 2.63158
70 4LZJ 22H 0.01808 0.41041 2.64026
71 1H5Q NAP 0.01191 0.40491 2.64151
72 2EJU SAH 0.009207 0.43832 2.6455
73 1ZH8 NAP 0.005964 0.4244 2.64706
74 2DBZ NAP 0.001858 0.44344 2.69461
75 1PN0 IPH 0.00000005605 0.47796 2.7027
76 1PN0 FAD 0.00000004478 0.47782 2.7027
77 4HA6 FAD 0.000008961 0.41288 2.7027
78 1ZBQ NAD 0.0109 0.40444 2.75229
79 2NXE SAM 0.006268 0.44657 2.75591
80 4USR FAD 0.0000002385 0.58856 2.77008
81 5EZ7 FAD 0.000001228 0.53686 2.80612
82 3GU3 SAH 0.002658 0.48638 2.8169
83 3GCZ SAM 0.02786 0.41444 2.83688
84 1DL5 SAH 0.005615 0.42807 2.83912
85 3EVG SAH 0.02354 0.41809 2.90909
86 4IV9 FAD 0.0000003119 0.55492 2.9106
87 5F8F SFG 0.01951 0.42836 2.91777
88 4ZCC FAD 0.000000995 0.50497 2.97619
89 4ZCC NAI 0.000000995 0.50497 2.97619
90 2R4J 13P 0.000006403 0.43324 2.99401
91 2R4J FAD 0.000006403 0.43324 2.99401
92 4OSP NAP 0.01775 0.4018 3.04183
93 2HJR APR 0.0001701 0.506 3.04878
94 2VVL FAD 0.0000001698 0.56066 3.1185
95 3AYI HCI 0.0000004494 0.46609 3.1185
96 3AYI FAD 0.0000003928 0.46562 3.1185
97 2VVM FAD 0.0000001516 0.44935 3.1185
98 4MIG G3F 0.000003009 0.43518 3.1185
99 4AZT SAM 0.03596 0.40889 3.1185
100 3L9W AMP 0.0001411 0.48418 3.1477
101 3L9W GSH 0.0002223 0.4825 3.1477
102 5DX8 SFG 0.009535 0.4257 3.15186
103 5DXA SFG 0.01077 0.42327 3.15186
104 4ZRN NAD 0.004369 0.41619 3.20513
105 2UYQ SAM 0.02786 0.43776 3.22581
106 4REP FAD 0.0000001371 0.44587 3.23232
107 3OFK SAH 0.007845 0.43245 3.24074
108 5TTJ FAD 0.0000001887 0.56678 3.26531
109 3L4S NAD 0.000598 0.45559 3.27381
110 3L4S 3PG 0.0006721 0.45084 3.27381
111 1NYT NAP 0.001672 0.45409 3.32103
112 5JWC FAD 0.000000002444 0.65679 3.3264
113 4AP3 FAD 0.00001186 0.45234 3.3264
114 4AP3 NAP 0.00001186 0.45234 3.3264
115 3QWI NAP 0.007385 0.41132 3.33333
116 1H82 FAD 0.0000003981 0.50619 3.38983
117 1H82 GZZ 0.0000008774 0.48297 3.38983
118 1I36 NAP 0.003994 0.44617 3.40909
119 3NYC FAD 0.000004777 0.48311 3.41207
120 3NYC IAR 0.000004777 0.48311 3.41207
121 5THY SAH 0.03514 0.40421 3.45679
122 5F5N NAD 0.01897 0.40485 3.46021
123 1NPD NAD 0.0008335 0.47086 3.47222
124 2EG5 SAH 0.004752 0.4639 3.49462
125 1Y1P NMN AMP PO4 0.02017 0.41068 3.50877
126 4FWE FAD 0.00000002461 0.58251 3.5343
127 1KNR FAD 0.0000002111 0.56107 3.5343
128 4Z24 FAD 0.000001718 0.52133 3.5343
129 4EIP FAD 0.0000009985 0.51677 3.5343
130 4EIP K2C 0.0000009985 0.51677 3.5343
131 4DSG UDP 0.000003033 0.46966 3.5343
132 4DSG FAD 0.000003033 0.46966 3.5343
133 4U8P FDA 0.00001184 0.43918 3.5343
134 4U8P UDP 0.00001232 0.43384 3.5343
135 4XDY NAI 0.0008765 0.46335 3.5503
136 1P31 EPU 0.01254 0.43168 3.57895
137 4XQC 13D 0.0007337 0.4242 3.57895
138 4XQC NAD 0.0009059 0.42301 3.57895
139 4NTC FAD 0.000000007316 0.60959 3.58209
140 1Z82 NDP 0.01669 0.40509 3.58209
141 3GMB FAD 0.000000159 0.59094 3.61446
142 4O0L NDP 0.008222 0.41156 3.63636
143 3A4T SFG 0.006317 0.43685 3.64964
144 3OJO NAD 0.000003526 0.58321 3.7123
145 2VT3 ATP 0.00001497 0.60159 3.72093
146 1F3L SAH 0.00742 0.43358 3.73832
147 2PK3 A2R 0.0213 0.4174 3.73832
148 5MQ6 NDP 0.0002614 0.49744 3.7422
149 3E1T FAD 0.00000001048 0.48365 3.7422
150 4MOP 2H5 0.000006852 0.47559 3.7422
151 4YNU LGC 0.000003492 0.43412 3.7422
152 4YNU FAD 0.00000434 0.42278 3.7422
153 1N4W FAD 0.000009108 0.41271 3.7422
154 1CDO NAD 0.0009569 0.46168 3.74332
155 1XDS SAM 0.0159 0.43638 3.74332
156 5MGZ SAH 0.02762 0.41188 3.81356
157 3B20 NAD 0.0004235 0.48413 3.83481
158 2V6G NAP 0.003363 0.42756 3.84615
159 2QV7 ADP 0.006356 0.45343 3.85757
160 4MDH NAD 0.006842 0.42183 3.89222
161 5MDH NAD 0.007676 0.41967 3.9039
162 5FJN BE2 0.0000006707 0.44542 3.94737
163 5FJN FAD 0.000001096 0.43226 3.94737
164 2BRY FAD 0.00000004924 0.61591 3.9501
165 4TXI FAD 0.0000000681 0.61529 3.9501
166 2RGJ FAD 0.0000000476 0.6165 3.9801
167 5GZ6 NDP 0.0006698 0.48623 3.98773
168 5GZ6 7C3 0.000575 0.48173 3.98773
169 1E3I CXF 0.0005085 0.44784 3.98936
170 2X3N FAD 0.0000001353 0.58039 4.01003
171 4PIO AVI 0.01466 0.40323 4.02477
172 4PIO SAH 0.01441 0.40149 4.02477
173 3I6I NDP 0.00472 0.40686 4.04624
174 3G5S FAD 0.00000001828 0.45562 4.06321
175 3GRU AMP 0.0003155 0.49369 4.0678
176 2FK8 SAM 0.01932 0.41671 4.08805
177 4K28 NAD 0.0001104 0.50649 4.08922
178 3QJ4 FAD 0.0000002303 0.56758 4.09357
179 5MZI FAD 0.00000417 0.46789 4.12148
180 5MZI FYK 0.000005169 0.46289 4.12148
181 5TUK FAD 0.0000003805 0.60483 4.158
182 5HSA FAS 0.00001591 0.49001 4.158
183 2Z3Y F2N 0.00000005918 0.46806 4.158
184 5MBX SP5 0.0000008001 0.46112 4.158
185 5MBX FAD 0.0000008001 0.46112 4.158
186 1F8G NAD 0.001767 0.46272 4.16667
187 1L7E NAI 0.01393 0.41556 4.16667
188 4NBT NAD 0.01949 0.40006 4.16667
189 5X62 SAH 0.001663 0.47903 4.18719
190 3NKS FAD 0.0000006922 0.55361 4.19287
191 1D4D FAD 0.00000004345 0.46675 4.1958
192 1J49 NAD 0.0001841 0.48596 4.2042
193 5BUK FAD 0.0000000189 0.4791 4.22222
194 2JJQ SAH 0.01043 0.44602 4.23529
195 5HJM MTA 0.005079 0.44767 4.26136
196 3GFB NAD 0.0008421 0.461 4.28571
197 1D1T NAD 0.0006938 0.45298 4.28954
198 3LKZ SFG 0.02306 0.41572 4.36137
199 2AUY NAG MAN MMA 0.01296 0.44106 4.36508
200 1Q8P MAN MMA 0.0272 0.43895 4.36508
201 2PHR MAN MAN 0.04154 0.42827 4.36508
202 2PHT MAN MAN MAN BMA MAN 0.03119 0.42776 4.36508
203 2PHW MAN MAN MAN BMA MAN MAN MAN 0.03758 0.42327 4.36508
204 2PHU MAN MAN MAN BMA MAN 0.04084 0.42126 4.36508
205 1GTE FAD 0.0000000007543 0.57512 4.3659
206 3PT9 SAH 0.00873 0.43946 4.3659
207 5UAO FAD 0.0000003532 0.43329 4.3659
208 1KYQ NAD 0.00001477 0.582 4.37956
209 5U5G NAP 0.003827 0.43013 4.40678
210 5KVS NAP 0.01364 0.41598 4.41558
211 3DMH SAM 0.004314 0.44778 4.46194
212 3DMH GMP 0.01385 0.40859 4.46194
213 4ZM4 P3B 0.04027 0.40383 4.47427
214 5ULP KB1 0.02905 0.40101 4.47761
215 4ONQ SFG 0.03961 0.40679 4.48179
216 3KB6 NAD 0.001012 0.45757 4.49102
217 2Q1W NAD 0.0009636 0.44459 4.5045
218 4TM3 FAD 0.000000001176 0.55992 4.51467
219 1PZG A3D 0.004251 0.41051 4.53172
220 1Q9I TEO 0.00000007752 0.52495 4.55342
221 1Q9I FAD 0.00000007752 0.52495 4.55342
222 1YKJ FAD 0.000005216 0.4584 4.56853
223 1YKJ PHB 0.000005216 0.4584 4.56853
224 3IHG FAD 0.00000002698 0.64829 4.5738
225 1YY5 FAD 0.00000002335 0.57934 4.5738
226 1RSG FAD 0.00000007825 0.56879 4.5738
227 3UCL NAP 0.0000008333 0.47938 4.5738
228 3UCL CYH 0.00000116 0.47244 4.5738
229 3UCL FAD 0.00000116 0.47244 4.5738
230 4J36 1HR 0.000002175 0.42572 4.57831
231 4J36 FAD 0.0000002366 0.42003 4.57831
232 2CVQ NDP 0.002295 0.43955 4.58716
233 2G5C NAD 0.0007535 0.45711 4.62633
234 5JE8 NAD 0.0003964 0.48185 4.63576
235 2FKA BEF 0.0005463 0.5189 4.65116
236 2F1K NAP 0.00008781 0.50699 4.6595
237 1L3I SAH 0.002022 0.45043 4.6875
238 3WLE NAD 0.0002108 0.46248 4.69208
239 2HK9 ATR 0.00007322 0.57143 4.72727
240 2HK9 NAP 0.0004819 0.47469 4.72727
241 2D2I NAP 0.0003446 0.49193 4.73684
242 2XVF FAD 0.0000006111 0.55566 4.74138
243 5HS2 CTP 0.01708 0.43134 4.74138
244 2CUL FAD 0.0000001527 0.43093 4.74138
245 3ORF NAD 0.005145 0.42468 4.78088
246 2RGO FAD 0.000002408 0.53316 4.7817
247 2IID FAD 0.000001159 0.49463 4.7817
248 2IID PHE 0.000001159 0.49463 4.7817
249 5EVY FAD 0.00001996 0.54868 4.79452
250 5A7Y SAH 0.04468 0.42263 4.80769
251 1U3U BNF 0.00229 0.41077 4.81283
252 1U3U NAD 0.00229 0.41077 4.81283
253 4DMG SAM 0.00166 0.49252 4.83461
254 1I1N SAH 0.01345 0.40914 4.86726
255 3GF4 FAD 0.00000422 0.47724 4.87179
256 3GF4 UPG 0.000004587 0.46897 4.87179
257 1KPG SAH 0.03488 0.40194 4.87805
258 5I39 FAD 0.0000008956 0.54559 4.90196
259 4XFR CIT 0.0244 0.4442 4.91803
260 2NU5 NAG 0.03166 0.41489 4.91803
261 2I7C AAT 0.001186 0.43851 4.947
262 2B9W FAD 0.0000008989 0.46099 4.95283
263 2XVE FAD 0.0000004434 0.47782 4.9569
264 1GEE NAD 0.0128 0.4057 4.98084
265 5TS5 FAD 0.000000185 0.55932 4.9896
266 5WGR FAD 0.0000006181 0.54414 4.9896
267 4C3Y ANB 0.000006408 0.42425 4.9896
268 4C3Y FAD 0.000003485 0.41895 4.9896
269 3HDY FDA 0.000004172 0.46338 5.03778
270 3HDY FAD 0.000004707 0.46186 5.03778
271 3HDY GDU 0.000004547 0.46011 5.03778
272 2VHW NAI 0.0001396 0.46933 5.03979
273 4OPC PGT 0.000001971 0.4915 5.07726
274 4OPC FDA 0.000002862 0.48206 5.07726
275 1CER NAD 0.0001627 0.49529 5.13595
276 2JB2 FAD 0.000001017 0.53987 5.1975
277 2JB2 PHE 0.000001275 0.53272 5.1975
278 1COY AND 0.00003933 0.41879 5.1975
279 1COY FAD 0.000007307 0.41087 5.1975
280 4PIV NDP 0.01574 0.40618 5.1975
281 1G55 SAH 0.01678 0.42246 5.24781
282 4RPL 3UC 0.000003185 0.46202 5.26316
283 4RPL FAD 0.000002433 0.46189 5.26316
284 2JAH NDP 0.01505 0.40071 5.26316
285 2DPM SAM 0.009834 0.42785 5.28169
286 2VDV SAM 0.004477 0.46526 5.28455
287 2E5V FAD 0.0000002061 0.4515 5.29661
288 1MAI I3P 0.02511 0.42846 5.34351
289 3S5W FAD 0.000001017 0.57221 5.39957
290 3S5W NAP 0.0000395 0.56641 5.39957
291 2ZXI FAD 0.00000001111 0.62139 5.40541
292 1JQ3 AAT 0.001112 0.4421 5.40541
293 4X60 SFG 0.001878 0.41973 5.42857
294 4X60 3XV 0.002098 0.41597 5.42857
295 4LWP SAH 0.01057 0.43535 5.43478
296 1X14 NAD 0.00006951 0.54824 5.48628
297 2YG3 FAD 0.00000007087 0.57828 5.51876
298 4CM4 4NR 0.04805 0.42623 5.55556
299 3JQB NAP 0.01283 0.41003 5.55556
300 4CME NAP 0.01245 0.40837 5.55556
301 3JQA NAP 0.01423 0.40808 5.55556
302 3JQF NAP 0.01176 0.40724 5.55556
303 3BMN NAP 0.01189 0.40705 5.55556
304 5JDC NAP 0.01349 0.40688 5.55556
305 3JQ8 NAP 0.01224 0.40651 5.55556
306 3JQG NAP 0.01624 0.4056 5.55556
307 5JCJ NAP 0.01464 0.40536 5.55556
308 4CLO NAP 0.01652 0.40527 5.55556
309 1K3T BRZ 0.0005756 0.45353 5.57103
310 4B4U NAP 0.002445 0.43081 5.61056
311 1NAA 6FA 0.00000491 0.50217 5.61331
312 1JNR FAD 0.0000006495 0.48706 5.61331
313 1NAA ABL 0.00000978 0.46829 5.61331
314 5BXV MGP 0.03233 0.44045 5.72917
315 1EJ4 M7G 0.02595 0.45077 5.78947
316 2AHR NAP 0.001762 0.43911 5.79151
317 4KRG SAH 0.01297 0.43414 5.79399
318 3NGL NAP 0.01412 0.42323 5.7971
319 3GDH SAH 0.006662 0.43009 5.80913
320 5OFW 9TW 0.008461 0.46926 5.8296
321 5TUF FAD 0.0000002007 0.59628 5.86797
322 5TUF TDC 0.00001506 0.4514 5.86797
323 3HVJ 705 0.001452 0.42814 5.88235
324 5FI3 NAP 0.004047 0.42664 5.88235
325 4MO2 FDA 0.000000594 0.55612 5.97826
326 4MO2 FAD 0.0000007446 0.54858 5.97826
327 1I8T FAD 0.0000009871 0.54035 5.99455
328 1Y8Q ATP 0.00002461 0.53987 6.02911
329 5E4R NAP 0.002174 0.44055 6.02911
330 2PV7 NAD 0.0002426 0.48424 6.04027
331 3OZ2 FAD 0.000000007146 0.61445 6.04534
332 4XZ3 COA 0.01075 0.4233 6.08696
333 5BVA FAD 0.000000004401 0.60434 6.11247
334 4YCA NDP 0.0001253 0.50025 6.12245
335 5H81 NAP 0.001134 0.47171 6.16967
336 4JK3 NAD 0.0001267 0.50003 6.17761
337 3U31 NAD 0.006487 0.43631 6.2069
338 3GWZ SAH 0.04574 0.41208 6.23306
339 1QO8 FAD 0.00000002037 0.4731 6.23701
340 2GMH FAD 0.0000000083 0.60762 6.44491
341 1BW9 NAD 0.0001026 0.52041 6.46067
342 2EV9 SKM 0.00017 0.47772 6.46388
343 2EV9 NAP 0.00017 0.47772 6.46388
344 3I9U DTU 0.01253 0.44799 6.46388
345 1C1X NAD 0.0002087 0.49057 6.47887
346 4RDH AMP 0.00008974 0.54818 6.59722
347 1YXM ADE 0.03648 0.41992 6.60066
348 5BR7 FAD 0.000001846 0.47362 6.61578
349 5BR7 FLC 0.00000307 0.46723 6.61578
350 1P77 ATR 0.00009839 0.57866 6.61765
351 5N53 8NB 0.00308 0.49533 6.66667
352 2YYY NAP 0.001275 0.45037 6.70554
353 1FWV SGA MAG FUC 0.01178 0.46855 6.71642
354 2ZIF SAM 0.005201 0.44717 6.73401
355 1WY7 SAH 0.01601 0.41792 6.76329
356 2Y6Q I7T 0.000002804 0.43108 6.78392
357 2Y6Q FAD 0.0000004029 0.4111 6.78392
358 3EGI ADP 0.0005563 0.5357 6.79612
359 4D79 ATP 0.00009656 0.53587 6.88406
360 4CJX NAP 0.0009435 0.46513 6.89655
361 1U7T NAD 0.01167 0.41181 6.89655
362 4CNK FAD 0.00000005748 0.44827 6.90537
363 5VKT NAP 0.007637 0.4151 6.90608
364 5EOW FAD 0.00000004819 0.61134 6.91358
365 1QAN SAH 0.009192 0.42922 6.96721
366 1NVT NAP 0.0008128 0.47135 6.96864
367 4JBI NDP 0.02219 0.40407 7.02703
368 1X87 NAD 0.0001554 0.5078 7.06861
369 4XYB NDP 0.003665 0.4192 7.16113
370 4X9M FAD 0.000001251 0.53302 7.17703
371 3AD8 NAD 0.0000000005105 0.68907 7.17822
372 3AD8 FAD 0.0002818 0.40349 7.17822
373 3AD8 PYC 0.0002818 0.40349 7.17822
374 1U8X NAD 0.02114 0.40277 7.27651
375 1W73 NAP 0.01133 0.41964 7.28477
376 1W6U NAP 0.02323 0.40545 7.28477
377 1RL4 BRR 0.02401 0.44208 7.44681
378 3EGV SAH 0.00367 0.46176 7.48299
379 3WMX NAD 0.003489 0.43712 7.5419
380 1E3W NAD 0.006983 0.41673 7.66284
381 3NUG NAD 0.01436 0.40156 7.69231
382 1HYH NAD 0.00008213 0.49384 7.76699
383 4OBW SAM 0.01694 0.42519 7.7821
384 1BXK NAD 0.003182 0.43353 7.88732
385 1YQD NAP 0.009398 0.40503 7.9235
386 1L1E SAH 0.01499 0.42199 8.01394
387 1KPH SAH 0.0199 0.41347 8.01394
388 4GUS FAD 0.00000004529 0.56942 8.06452
389 4GUT FAD 0.00000003737 0.47988 8.06452
390 4RSL FAD 0.00001099 0.51159 8.08989
391 2VYN NAD 0.000048 0.51068 8.1571
392 4UP3 FAD 0.000000002945 0.48714 8.28025
393 1E5Q NDP 0.004539 0.42699 8.44444
394 3VY6 BGC BGC 0.01414 0.45057 8.51064
395 5J7X FAD 0.0000008702 0.54606 8.52391
396 5LB3 ADP 0.04716 0.42129 8.53933
397 3TLJ SAH 0.01551 0.41595 8.57909
398 1E6E FAD 0.00000001977 0.45752 8.59375
399 3DXY SAM 0.001004 0.50418 8.7156
400 3JV7 NAD 0.0007743 0.45662 8.98551
401 2D5A COA 0.02486 0.40645 9.02778
402 2XVM SAH 0.02197 0.42898 9.04523
403 4NEC SAH 0.04212 0.41399 9.09091
404 4IWN GEK 0.0326 0.40098 9.17031
405 3O7W SAM 0.04049 0.4149 9.18367
406 1DJN ADP 0.000000001169 0.7428 9.35551
407 1O94 ADP 0.0000000004913 0.43336 9.35551
408 1LUA NAP 0.001667 0.46741 9.40767
409 3V1Y NAD 0.0000505 0.51748 9.79228
410 2PXX SAH 0.02467 0.41429 10.2326
411 1OMO NAD 0.0002537 0.49417 10.2484
412 4XGX ADP 0.01433 0.4288 10.2941
413 3WGT QSC 0.000003301 0.4345 10.3746
414 3WGT FAD 0.00000457 0.429 10.3746
415 1WDK NAD 0.0000302 0.54043 10.395
416 2HNK SAH 0.002191 0.46178 10.4603
417 1PNO NAP 0.004368 0.42525 10.5556
418 1EZ4 NAD 0.0001359 0.4987 10.6918
419 3OA2 NAD 0.004714 0.42629 10.6918
420 4II2 ATP 0.00005899 0.53633 10.8434
421 2OOR NAD 0.001503 0.46599 10.9195
422 2OOR TXP 0.004313 0.43047 10.9195
423 1N2X SAM 0.01544 0.41604 10.9635
424 1YB5 NAP 0.0106 0.40098 11.1111
425 5E8J SAH 0.006692 0.45612 11.3636
426 2DT5 NAD 0.0001789 0.48649 11.3744
427 1JG3 ADN 0.0001477 0.52678 11.4894
428 4YSX FAD 0.00000005705 0.5817 11.5385
429 1VM6 NAD 0.005637 0.43064 11.8421
430 1FNN ADP 0.03388 0.41019 12.0823
431 2GAG NAD 0.0000000002689 0.68243 12.0988
432 2GAG FAD 0.00001841 0.47676 12.0988
433 2GAG FOA 0.00003067 0.46921 12.0988
434 5T46 MGP 0.03379 0.44045 12.1212
435 2Q46 NAP 0.01722 0.40235 12.6482
436 2BKX F6R 0.02661 0.42459 13.2231
437 5LD5 NAD 0.0003188 0.49348 13.4078
438 5L95 AMP 0.0001198 0.52639 13.75
439 4FZV SAM 0.01482 0.42222 13.8075
440 2DC1 NAD 0.001233 0.45387 13.9831
441 4HXY NDP 0.001726 0.43948 14.1553
442 1PS9 FAD 0.0000000009757 0.50393 14.7609
443 4QTU SAM 0.01056 0.43224 14.8148
444 5CAE COA 0.0006747 0.475 14.9367
445 5CAE SIN 0.001134 0.44176 14.9367
446 4G74 FAD 0.00000001021 0.62767 15.1394
447 4G74 UQ5 0.0000001533 0.54077 15.1394
448 5ODQ FAD 0.000000002764 0.62016 15.2174
449 4D7E FAD 0.00003533 0.49218 16.7832
450 5KMS FAD 0.0000000006894 0.67248 16.7901
451 5KMS NAD 0.000000000001807 0.66063 16.7901
452 1O5I NAD 0.007665 0.439 17.2691
453 5JCA NDP 0.000000001801 0.54545 17.2996
454 5JCA FAD 0.000000004539 0.48714 17.2996
455 3ITJ FAD 0.0000000364 0.48691 17.4556
456 3LXD FAD 0.0000000001299 0.70627 17.8313
457 1LSS NAD 0.000002556 0.60105 17.8571
458 5JCM NAD 0.00000000001785 0.60715 17.9601
459 5JCM FAD 0.00000000002269 0.60239 17.9601
460 5JCM ISD 0.00000000002641 0.60239 17.9601
461 4YMH SAH 0.001071 0.47655 18.3333
462 1YQZ FAD 0.0000001527 0.4874 18.7215
463 5VN0 FAD 0.000000001612 0.64788 19.3347
464 5VN0 NAI 0.00000000005572 0.61211 19.3347
465 4JNA FAD 0.00000004891 0.57601 19.4118
466 1ZEM NAD 0.001393 0.45456 19.4656
467 5FA8 SAM 0.008722 0.42749 19.8758
468 5FA5 MTA 0.001292 0.48889 20
469 3NTA FAD 0.0000000009331 0.65673 20.9979
470 3NT6 FAD 0.000000001485 0.64921 20.9979
471 4D04 NAP 0.0000008564 0.48085 20.9979
472 4D04 FAD 0.0000008564 0.48085 20.9979
473 2NPX NAD 0.00000000000003619 0.71146 21.2528
474 2NPX FAD 0.0000000002242 0.68541 21.2528
475 5ABU GTG 0.04944 0.42402 21.4286
476 3FG2 FAD 0.0000000007615 0.68819 21.5347
477 1VE3 SAM 0.03457 0.40975 21.5859
478 3UOY FAD 0.0000004983 0.47739 21.8295
479 3UOY NAP 0.0000004983 0.47739 21.8295
480 1TDF NAP 0.0008814 0.42666 21.8354
481 1TDF FAD 0.001626 0.40187 21.8354
482 1Q1R FAD 0.0000000005392 0.67101 22.2738
483 3AB1 FAD 0.000000002771 0.48644 22.7778
484 2YVF NAD 0.000002927 0.49957 22.7941
485 2YVF FAD 0.000002824 0.49906 22.7941
486 2YVJ FAD 0.000000000854 0.49114 22.7941
487 3CGB FAD 0.0000000005507 0.67067 23.0769
488 3CGD COA 0.000000000006021 0.63521 23.3333
489 3CGD NAD 0.000000000006021 0.63521 23.3333
490 3CGD FAD 0.000000000006021 0.63521 23.3333
491 3CTY FAD 0.0000000002134 0.64968 23.8245
492 3GD4 FAD 0.00000001133 0.547 23.9085
493 3GD4 NAD 0.000000000845 0.53369 23.9085
494 4BV6 FAD 0.0000000004354 0.51204 23.9085
495 2Q0L FAD 0.000000001794 0.63146 24.4373
496 2Q0L NAP 0.0000169 0.58528 24.4373
497 2CDU FAD 0.000000001257 0.48175 24.5575
498 4HSU FAD 0.0000001131 0.46257 26.6667
499 3ICT ADP 0.000000009443 0.77223 27.027
500 3ICR FAD 0.0000000002679 0.68249 27.027
501 3ICT FAD 0.000000001647 0.6527 27.027
502 3ICS FAD 0.0000000004723 0.49911 27.027
503 3NTD FAD 0.0000000006794 0.49488 27.2349
504 1XHC FAD 0.00000000002836 0.72553 28.3379
505 4EMJ FAD 0.0000000004028 0.66499 28.7805
506 4EMI NAD 0.000000000000104 0.65956 28.7805
507 4EMI FAD 0.0000000001919 0.50788 28.7805
508 4YRY FAD 0.00000000792 0.60398 29.7009
509 4YRY NAD 0.00000000774 0.56547 29.7009
510 2V3A FAD 0.000000001333 0.65095 34.8958
511 2V3B FAD 0.000000001039 0.48833 34.8958
512 2Q7V FAD 0.000000001876 0.49439 40
513 3F8D FAD 0.00000002317 0.50375 41.4861
514 3KLJ FAD 0.00000000009392 0.49271 42.0779
515 5J60 FAD 0.000000001432 0.49372 42.1875
516 4J56 FAD 0.00000000000007661 0.61484 43.4511
517 3QFA FAD 0.00000000000002542 0.79835 44.316
518 1MO9 FAD 0.000000000000008105 0.64137 44.6985
519 1MO9 KPC 0.00000000000001077 0.63365 44.6985
520 2NVK FAD 0.000002507 0.41286 45.3222
521 1FL2 FAD 0.00000000128 0.64652 45.4839
522 1BZL FAD 0.00000000005743 0.5056 46.5696
523 1FEC FAD 0.00000000000008904 0.62047 46.7775
524 2WPF FAD 6.661e-16 0.76866 47.6091
525 2WPF WPF 0.000000000000001554 0.76114 47.6091
526 2HQM FAD 0.00000000000001721 0.61829 48.8518
Pocket No.: 3; Query (leader) PDB : 5U8U; Ligand: FAD; Similar sites found: 33
This union binding pocket(no: 3) in the query (biounit: 5u8u.bio2) has 63 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MXH DHF 0.007 0.40047 1.08696
2 4XJ6 GH3 0.04456 0.40971 1.7199
3 1E6W NAD 0.0174 0.40009 1.92308
4 1RPN NDP 0.01401 0.40001 2.38806
5 1PU7 39A 0.01786 0.44273 3.21101
6 1LES GLC FRU 0.03757 0.41934 3.31492
7 3QWI CUE 0.004041 0.4038 3.33333
8 4TXE 38F 0.03907 0.41269 3.40136
9 1SQL GUN 0.04895 0.42561 3.42466
10 3V2U ATP 0.03134 0.40661 3.5343
11 1QZZ SAM 0.0498 0.4101 3.74332
12 4UEC MGT 0.04573 0.40926 3.80435
13 5GUD CIT 0.005484 0.40826 3.82166
14 1GEG NAD 0.01712 0.40039 3.90625
15 3BF8 MLA 0.03126 0.43826 3.92157
16 2CUN 3PG 0.0182 0.43611 4.14634
17 4OOE NDP 0.02301 0.40115 4.20792
18 1Q8S MAN MMA 0.02204 0.43835 4.36508
19 2GNB MAN 0.03727 0.43789 4.36508
20 5KVS 6XR 0.01181 0.40104 4.41558
21 2NUO BGC 0.02402 0.427 4.91803
22 4CM8 NAP 0.01064 0.41127 5.55556
23 4CM4 NAP 0.01124 0.41026 5.55556
24 4CMI NAP 0.01144 0.40993 5.55556
25 3LLZ GAL NGA 0.03447 0.43215 6.01504
26 2VOH CIT 0.03882 0.43189 6.36943
27 5J6Y GLC 0.04899 0.41648 6.38298
28 5J6Y BGC 0.04899 0.41648 6.38298
29 4R6W SAH 0.01365 0.40046 6.58915
30 3QH2 3NM 0.02045 0.44611 8.1448
31 1L7N ALF 0.03956 0.42569 9.00474
32 4CQM NAP 0.01508 0.40272 9.01639
33 2Z6C FMN 0.04457 0.4042 11.6279
Pocket No.: 4; Query (leader) PDB : 5U8U; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5u8u.bio2) has 63 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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