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Receptor
PDB id Resolution Class Description Source Keywords
3U5S 1.5 Å EC: 1.8.3.2 SELENIUM SUBSTITUTED HUMAN AUGMENTER OF LIVER REGENERATION HOMO SAPIENS FLAVIN LIVER OXIDOREDUCTASE SELENIUM NMR SELENOCYSTEINESELENOPROTEINS AUGMENTER OF LIVER REGENERATION
Ref.: (77)SE ENRICHMENT OF PROTEINS EXPANDS THE BIOLOGICA TOOLBOX. J.MOL.BIOL. V. 425 222 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:300;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3U5S 1.5 Å EC: 1.8.3.2 SELENIUM SUBSTITUTED HUMAN AUGMENTER OF LIVER REGENERATION HOMO SAPIENS FLAVIN LIVER OXIDOREDUCTASE SELENIUM NMR SELENOCYSTEINESELENOPROTEINS AUGMENTER OF LIVER REGENERATION
Ref.: (77)SE ENRICHMENT OF PROTEINS EXPANDS THE BIOLOGICA TOOLBOX. J.MOL.BIOL. V. 425 222 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3U5S - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3U2M - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3U2L - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3O55 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3MBG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 3U5S - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1OQC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3U2M - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3U2L - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3O55 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 2HJ3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1JR8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1JRA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 3MBG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 3U5S - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 1OQC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3U5S; Ligand: FAD; Similar sites found with APoc: 135
This union binding pocket(no: 1) in the query (biounit: 3u5s.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 1HBK COA None
3 5TVI MYR None
4 2V5E SCR None
5 5KAU RHQ None
6 1HBK MYR None
7 1XZ3 ICF None
8 5XSJ XYP None
9 1NU4 MLA None
10 4WG0 CHD None
11 2Q2Y ADP None
12 2Q2Y MKR None
13 5Y02 HBX None
14 5XSS XYP None
15 3KP6 SAL None
16 1GEG GLC None
17 3M31 FAD None
18 4G9N NGA None
19 3KFC 61X None
20 5B4B LP5 0.793651
21 1R6N 434 1.5873
22 2E3N 6CM 1.5873
23 2VDY HCY 1.5873
24 2PFC PLM 1.5873
25 2ZQO NGA 1.5873
26 3AJ6 NGA 1.5873
27 3UST FAD 2.38095
28 1NF8 BOG 2.38095
29 2HHP FLC 2.38095
30 4RYV ZEA 2.38095
31 4URN NOV 2.38095
32 5V4R MGT 2.46914
33 1EWF PC1 3.1746
34 1ZED PNP 3.1746
35 5LGA 6VH 3.1746
36 2P4Y C03 3.1746
37 2CIX CEJ 3.96825
38 5X3R 7Y3 3.96825
39 4WGF HX2 3.96825
40 1KTG AMP 3.96825
41 4XCP PLM 4.11765
42 6CB2 OLC 4.7619
43 1LT3 GAL BGC 4.7619
44 2F2G HMH 4.7619
45 3AHQ FAD 4.7619
46 1LTT GAL BGC 4.7619
47 3W54 RNB 4.7619
48 2Q4X HMH 4.7619
49 3VRV YSD 4.7619
50 4FHT DHB 4.7619
51 2YFB SIN 4.7619
52 4A4Z ANP 4.7619
53 5AIP 4HP 4.7619
54 3N7H DE3 4.8
55 3KO0 TFP 4.9505
56 1I0B PEL 5.55556
57 3NB0 G6P 5.55556
58 4TV1 36M 5.55556
59 4MGA 27L 5.55556
60 5AAV GW5 5.55556
61 1JAY F42 5.55556
62 4OB6 S2T 5.55556
63 2CB8 MYA 5.74713
64 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.34921
65 5L6G XYP 6.34921
66 5C9J DAO 6.34921
67 6BR8 PGV 6.34921
68 6BR8 6OU 6.34921
69 6BR9 6OU 6.34921
70 4DE3 DN8 6.34921
71 6GMN F4E 6.34921
72 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.34921
73 4LY9 S6P 6.34921
74 4LY9 1YY 6.34921
75 4M52 M52 6.34921
76 1YC4 43P 6.34921
77 4OGQ 7PH 7.14286
78 3TDC 0EU 7.14286
79 4RW3 SHV 7.14286
80 1E4I NFG 7.14286
81 4OGQ 1O2 7.14286
82 4OGQ UMQ 7.14286
83 3X01 AMP 7.14286
84 4DXJ 0M9 7.14286
85 4YSX E23 7.14286
86 4URX FK1 7.93651
87 2BHW NEX 7.93651
88 1TV5 N8E 7.93651
89 3QUZ QUV 7.93651
90 6D5L FW7 7.93651
91 3L1N PLM 7.93651
92 6D59 FVJ 7.93651
93 6D5H FV7 7.93651
94 5C1M OLC 8
95 2XN5 FUN 8.57143
96 5MWE TCE 8.64198
97 5NM7 GLY 8.73016
98 1KNM LAT 8.73016
99 1SJD NPG 8.73016
100 5W7B MYR 9.52381
101 1GNI OLA 9.52381
102 4OKD GLC GLC GLC 9.52381
103 5AZC PGT 9.52381
104 5WL1 D3D 9.52381
105 1XVB 3BR 9.52381
106 4MRP GSH 10.3175
107 2BCG GER 10.3175
108 3B6C SDN 10.3175
109 5OLK DTP 10.3175
110 1BZL GCG 10.3175
111 5OCA 9QZ 11.1111
112 3KPE TM3 11.7647
113 5Z84 CHD 11.9048
114 5ZCO CHD 11.9048
115 2Y69 CHD 11.9048
116 5W97 CHD 11.9048
117 6CGN DA 11.9048
118 4LO2 GAL BGC 11.9048
119 1DTL BEP 12.6984
120 1LTI GAL 12.6984
121 2WOR 2AN 13
122 1T0S BML 13.4921
123 2JHP GUN 13.4921
124 3I9U DTU 13.4921
125 1M2Z BOG 14.2857
126 3HP9 CF1 14.2857
127 4G86 BNT 14.2857
128 4O4Z N2O 14.2857
129 4LSJ LSJ 14.2857
130 4M73 M72 15.0794
131 4M73 SAH 15.0794
132 3ZLR X0B 16.6667
133 5LX9 OLB 17.4603
134 3LN0 52B 26.9841
135 5M36 9SZ 31.5789
Pocket No.: 2; Query (leader) PDB : 3U5S; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3u5s.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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