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Receptor
PDB id Resolution Class Description Source Keywords
3O55 1.9 Å EC: 1.8.3.2 CRYSTAL STRUCTURE OF HUMAN FAD-LINKED AUGMENTER OF LIVER REG (ALR) HOMO SAPIENS FLAVIN FLAVOPROTEIN SULFHYDRYL OXIDASE FAD GFER ALR
Ref.: MOLECULAR RECOGNITION AND SUBSTRATE MIMICRY DRIVE T ELECTRON-TRANSFER PROCESS BETWEEN MIA40 AND ALR. PROC.NATL.ACAD.SCI.USA V. 108 4811 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:0;
Valid;
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
3O55 1.9 Å EC: 1.8.3.2 CRYSTAL STRUCTURE OF HUMAN FAD-LINKED AUGMENTER OF LIVER REG (ALR) HOMO SAPIENS FLAVIN FLAVOPROTEIN SULFHYDRYL OXIDASE FAD GFER ALR
Ref.: MOLECULAR RECOGNITION AND SUBSTRATE MIMICRY DRIVE T ELECTRON-TRANSFER PROCESS BETWEEN MIA40 AND ALR. PROC.NATL.ACAD.SCI.USA V. 108 4811 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 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....
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 : 3O55; Ligand: FAD; Similar sites found with APoc: 202
This union binding pocket(no: 1) in the query (biounit: 3o55.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 1HBK MYR None
3 2GWH PCI None
4 4F4S EFO None
5 3M31 FAD None
6 1XZ3 ICF None
7 3E85 BSU None
8 5XSJ XYP None
9 2QCX PF1 None
10 4A7W GTP None
11 5XJ7 87O None
12 4WG0 CHD None
13 5TVI MYR None
14 5Y02 HBX None
15 1UO5 PIH None
16 3KP6 SAL None
17 5KAU RHQ None
18 1SBR VIB None
19 3KFC 61X None
20 5B4B LP5 0.8
21 1NF8 BOG 1.6
22 2UW1 GVM 1.6
23 4RYV ZEA 1.6
24 1ZNY GDP 1.6
25 5UIJ TYD 1.6
26 6B21 C9V 1.6
27 2ZQO NGA 1.6
28 3ZZH ARG 1.6
29 3UST FAD 2.4
30 2VDY HCY 2.4
31 4URN NOV 2.4
32 6DIO CIT 2.4
33 2E3N 6CM 2.4
34 3B9Z CO2 2.4
35 1DB1 VDX 2.4
36 5V4R MGT 2.46914
37 2GJ3 FAD 2.5
38 3AHQ FAD 3.2
39 4XCZ T3Q 3.2
40 2GBB CIT 3.2
41 5LGA 6VH 3.2
42 1ZED PNP 3.2
43 2WH8 II2 3.2
44 4WGF HX2 4
45 5C9J DAO 4
46 1R6N 434 4
47 3NB0 G6P 4
48 2CIX CEJ 4
49 4YSX E23 4
50 5X3R 7Y3 4
51 5IUY BOG 4
52 5L8N 6RQ 4
53 5HCV 60R 4
54 5V3Y 5V8 4
55 6C1R EFD 4
56 4XCP PLM 4.11765
57 6CB2 OLC 4.8
58 3X01 AMP 4.8
59 3HYW DCQ 4.8
60 3VRV YSD 4.8
61 6D28 NEC 4.8
62 2Q4X HMH 4.8
63 1LT3 GAL BGC 4.8
64 3E70 GDP 4.8
65 3NIP 16D 4.8
66 2Q4G CIT 4.8
67 3N7H DE3 4.8
68 4FHT DHB 4.8
69 1EWF PC1 4.8
70 3KO0 TFP 4.9505
71 4TV1 36M 5.6
72 4MG8 27J 5.6
73 4MGD 27N 5.6
74 2YJD YJD 5.6
75 4MGA 27L 5.6
76 3UUD EST 5.6
77 5HYR EST 5.6
78 5WGQ EST 5.6
79 3BPX SAL 5.6
80 2V5E SCR 5.6
81 2QA8 GEN 5.6
82 5DXE EST 5.6
83 1U3R 338 5.6
84 4V3I ASP LEU THR ARG PRO 5.6
85 3OLL EST 5.6
86 4UCC ZKW 5.6
87 2BJ4 OHT 5.6
88 4MGB XDH 5.6
89 4MG9 27K 5.6
90 4TUZ 36J 5.6
91 3EE4 MYR 5.6
92 3AJ6 NGA 5.6
93 5AAV GW5 5.6
94 2QZO KN1 5.6
95 3HR1 PF9 5.6
96 4OB6 S2T 5.6
97 2CB8 MYA 5.74713
98 5LX9 OLB 6.4
99 4RW3 SHV 6.4
100 2HHP FLC 6.4
101 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.4
102 1YC4 43P 6.4
103 5L6G XYP 6.4
104 6GMN F4E 6.4
105 4DE3 DN8 6.4
106 5CHR 4NC 6.4
107 5UC4 83S 6.4
108 4DDY DN6 6.4
109 3B99 U51 6.4
110 4D06 X8W 6.4
111 3SP6 IL2 6.4
112 5K53 STE 6.4
113 3RUG DB6 6.4
114 3KDU NKS 6.4
115 4PGK Y69 6.4
116 4M52 M52 6.4
117 5LWY OLB 6.72269
118 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7.2
119 1I0B PEL 7.2
120 3TDC 0EU 7.2
121 1E4I NFG 7.2
122 6BMS POV 7.2
123 5CX6 CDP 7.2
124 1M13 HYF 7.2
125 2WPX ACO 7.2
126 4ZGM 32M 7.37705
127 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 8
128 1TV5 N8E 8
129 2BHW NEX 8
130 5C1M OLC 8
131 4G8R 96P 8
132 3AI3 SOE 8
133 6D5L FW7 8
134 4IHL 1F5 8
135 6BVK EAV 8
136 1BRW URA 8
137 6D5H FV7 8
138 4I90 CHT 8
139 5FS0 5JC 8
140 2XN5 FUN 8.57143
141 4OGQ 7PH 8.8
142 4MRP GSH 8.8
143 4OGQ 1O2 8.8
144 3W54 RNB 8.8
145 1GNI OLA 8.8
146 4OGQ UMQ 8.8
147 4Y8D 49J 8.8
148 4RC8 STE 8.8
149 4OKD GLC GLC GLC 9.6
150 5AZC PGT 9.6
151 3CMJ SRT 9.6
152 5URY PAM 9.6
153 1XVB 3BR 9.6
154 3Q60 ATP 9.6
155 5Z84 CHD 10.1695
156 5ZCO CHD 10.1695
157 5ZCO PGV 10.1695
158 5Z84 PGV 10.1695
159 5W97 CHD 10.1695
160 5W7B MYR 10.4
161 3B6C SDN 10.4
162 6BR9 6OU 10.4
163 5MWE TCE 11.1111
164 5OCA 9QZ 11.2
165 1SJD NPG 11.2
166 5OLK DTP 11.2
167 3KPE TM3 11.7647
168 2Y69 CHD 12
169 3ZJQ NCA 12
170 4RJD TFP 12.1212
171 1LTT GAL BGC 12.8
172 3CHT 4NB 12.8
173 1T0S BML 12.8
174 3HUJ AGH 12.8
175 2YFB SIN 12.8
176 2WOR 2AN 13
177 4UBS DIF 13.6
178 2Q8G AZX 13.6
179 3I9U DTU 13.6
180 1DTL BEP 14.4
181 3HP9 CF1 14.4
182 4G86 BNT 14.4
183 4O4Z N2O 14.4
184 3FAL REA 14.4
185 1M2Z BOG 15.2
186 1NHZ 486 15.2
187 2BCG GER 16
188 4OAR 2S0 16
189 3ZLR X0B 16.8
190 6BR8 PGV 17.6
191 6BR8 6OU 17.6
192 1YYE 196 17.6
193 2I0G I0G 17.6
194 2P4Y C03 19.2
195 2HFP NSI 19.2
196 6C0B PAM 20.5128
197 2WR1 NAG 20.8
198 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 24.8
199 4J24 EST 26.3158
200 5Y79 3PG 26.4
201 5MT9 SRO 26.6667
202 5WGD EST 41.6667
Pocket No.: 2; Query (leader) PDB : 3O55; 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: 3o55.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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