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 7 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 7 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: 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 : 3O55; Ligand: FAD; Similar sites found: 268
This union binding pocket(no: 1) in the query (biounit: 3o55.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YLD CMO 0.0004998 0.48112 None
2 2QCX PF1 0.0008807 0.4628 None
3 3BY8 MLT 0.002069 0.4599 None
4 1ULE GLA GAL NAG 0.004172 0.45258 None
5 4F4S EFO 0.005195 0.44565 None
6 1Y75 NAG 0.001347 0.44253 None
7 3M31 FAD 0.0007563 0.43758 None
8 1ECM TSA 0.001937 0.436 None
9 1M5B BN1 0.0009919 0.42968 None
10 4L7I SAM 0.0006509 0.42957 None
11 2Q1A 2KT 0.007314 0.42771 None
12 1I0Z OXM 0.01896 0.42656 None
13 1XX4 BAM 0.005583 0.42455 None
14 2PR5 FMN 0.0007263 0.42348 None
15 3NFZ 3NF 0.002727 0.42 None
16 4A7W GTP 0.0219 0.41915 None
17 2BOI MFU 0.00686 0.41807 None
18 1UO5 PIH 0.03699 0.40887 None
19 3KP6 SAL 0.04939 0.40844 None
20 3K9W ADE 0.01364 0.40749 None
21 3K9W 4PS 0.01364 0.40749 None
22 2XD9 XD9 0.02767 0.40723 None
23 1ZS6 ADP 0.0106 0.40531 None
24 1SBR VIB 0.03479 0.4022 None
25 2JFV FLC 0.029 0.40011 None
26 2YCD GTB 0.008163 0.40136 0.8
27 1NF8 BOG 0.001197 0.48906 1.6
28 3QDT A2G GAL 0.001525 0.47415 1.6
29 3QDY A2G GAL 0.004006 0.45345 1.6
30 3TFC PEP 0.00146 0.44687 1.6
31 2Q1S NAI 0.001199 0.41613 1.6
32 1PEA ACM 0.03061 0.40963 1.6
33 2JGS BTN 0.01478 0.40608 1.6
34 4M51 BEZ 0.001017 0.48282 2.4
35 2Z9V PXM 0.0007232 0.45994 2.4
36 3UST FAD 0.00004407 0.44167 2.4
37 2VDY HCY 0.008789 0.43613 2.4
38 4RPM HXC 0.04879 0.41876 2.4
39 1ZJ6 G3D 0.004351 0.41206 2.4
40 4URN NOV 0.02472 0.41007 2.4
41 3B9Z CO2 0.04467 0.40455 2.4
42 1DB1 VDX 0.006093 0.40298 2.4
43 1QF5 GDP 0.004477 0.40086 2.4
44 1QF5 RPL 0.004477 0.40086 2.4
45 2F01 BTQ 0.009498 0.40062 2.4
46 1LNX URI 0.002507 0.43682 2.46914
47 2GJ3 FAD 0.01047 0.40435 2.5
48 3RF4 FUN 0.004608 0.42549 2.58621
49 2E1A MSE 0.01253 0.40229 2.66667
50 4M5P MLA 0.002614 0.48022 3.2
51 3ZPG 5GP 0.003504 0.46438 3.2
52 3AHQ FAD 0.0001479 0.44526 3.2
53 4M5P 23W 0.01295 0.42823 3.2
54 4CS4 AXZ 0.0007999 0.42191 3.2
55 4CS4 ANP 0.0005416 0.42066 3.2
56 2Q09 DI6 0.005598 0.41686 3.2
57 3DGB MUC 0.003335 0.41658 3.2
58 3A1I UNU 0.006024 0.41089 3.2
59 4M5P FMN 0.001148 0.40872 3.2
60 1C0I BE2 0.002519 0.40741 3.2
61 1C0I FAD 0.002519 0.40741 3.2
62 1F5F DHT 0.003534 0.40318 3.2
63 4K30 NLG 0.009528 0.40286 3.2
64 1T26 NAI 0.01814 0.40246 3.2
65 1T26 GBD 0.01814 0.40246 3.2
66 2WH8 II2 0.02889 0.40244 3.2
67 2ZWS PLM 0.002573 0.49115 4
68 1GJW GLC 0.00311 0.45149 4
69 1Y9Q MED 0.004349 0.43807 4
70 1CKM GTP 0.002264 0.43318 4
71 2NVK NAP 0.003476 0.43074 4
72 2Q37 3AL 0.007513 0.42157 4
73 3SHR CMP 0.004195 0.41723 4
74 2ZJ5 ADP 0.0125 0.41174 4
75 2EWM NAD 0.0006569 0.41007 4
76 1GJW MAL 0.006511 0.40953 4
77 2XVE FAD 0.006319 0.40486 4
78 2XCG XCG 0.00115 0.4011 4
79 1EP2 FMN 0.000982 0.40021 4
80 3KMT SAH 0.003464 0.41156 4.20168
81 5RHN 8BR 0.0009553 0.42807 4.34783
82 2QV7 ADP 0.000271 0.44825 4.8
83 3HYW DCQ 0.0156 0.42723 4.8
84 1NNS ASP 0.002798 0.42431 4.8
85 3OND NAD 0.001081 0.42151 4.8
86 3OND ADN 0.001081 0.42151 4.8
87 2ZSC BTN 0.002143 0.41948 4.8
88 2ZJF BSU 0.00377 0.41909 4.8
89 2Q4X HMH 0.0227 0.41378 4.8
90 2O4J VD4 0.0002194 0.41206 4.8
91 4IVG ANP 0.002484 0.41116 4.8
92 1T8U UAP SGN IDS SGN 0.00138 0.40878 4.8
93 1KTC NGA 0.01144 0.40852 4.8
94 4L1F COS 0.0007584 0.40725 4.8
95 2Q4G CIT 0.02831 0.40695 4.8
96 1OAA OAA 0.002542 0.40538 4.8
97 4JHG ZEA 0.004066 0.40484 4.8
98 3ZRR PXG 0.000213 0.4005 4.8
99 4AF0 IMP 0.004725 0.40008 4.8
100 1SS4 CIT 0.00002325 0.65178 5.6
101 2V6O FAD 0.0002397 0.46166 5.6
102 4KCT PYR 0.0006035 0.457 5.6
103 1SS4 GSH 0.01659 0.4462 5.6
104 4COQ SAN 0.004401 0.43784 5.6
105 3QV9 QV7 0.003235 0.43779 5.6
106 3F3E LEU 0.0001976 0.4347 5.6
107 1C7S CBS 0.001722 0.42779 5.6
108 1U7Z PMT 0.0002355 0.42685 5.6
109 4MG8 27J 0.005327 0.42675 5.6
110 4MGD 27N 0.005632 0.42561 5.6
111 3LTW HLZ 0.01032 0.42084 5.6
112 2IZ1 ATR 0.0126 0.41684 5.6
113 3BPX SAL 0.02152 0.41573 5.6
114 1QO0 BMD 0.0134 0.41562 5.6
115 2V5E SCR 0.006562 0.41437 5.6
116 1V5F FAD 0.02126 0.41355 5.6
117 1V5F TPP 0.02126 0.41355 5.6
118 2QA8 GEN 0.01015 0.41345 5.6
119 3TO7 COA 0.001034 0.41282 5.6
120 4V3I ASP LEU THR ARG PRO 0.02498 0.41261 5.6
121 3OLL EST 0.008907 0.41244 5.6
122 1CTU ZEB 0.001995 0.4121 5.6
123 2NLI LAC 0.002626 0.41035 5.6
124 2NLI FMN 0.002626 0.41035 5.6
125 4MGA 27L 0.0307 0.40978 5.6
126 3AJ6 NGA 0.02352 0.40519 5.6
127 1E4E PHY 0.004252 0.40413 5.6
128 3HR1 PF9 0.007947 0.40144 5.6
129 1V6A TRE 0.02161 0.40114 5.6
130 4KCF AKM 0.004993 0.40095 5.6
131 2CB8 MYA 0.01474 0.42454 5.74713
132 2W3L DRO 0.001022 0.49187 6.4
133 1YOA FMN 0.004123 0.47962 6.4
134 2HHP FLC 0.00109 0.46511 6.4
135 2F2U M77 0.0006746 0.44917 6.4
136 4RJK PYR 0.005244 0.44767 6.4
137 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.009307 0.43699 6.4
138 3BRE C2E 0.0052 0.43451 6.4
139 3BHO B4P 0.01856 0.4344 6.4
140 3I0O ADP 0.001866 0.43139 6.4
141 2J07 FAD 0.0009915 0.42368 6.4
142 2J07 HDF 0.0009915 0.42368 6.4
143 1TDF NAP 0.003543 0.41883 6.4
144 2Y7G AAE 0.001755 0.41832 6.4
145 1BZL FAD 0.02343 0.41539 6.4
146 3B99 U51 0.01132 0.41499 6.4
147 1MZV AMP 0.005678 0.41193 6.4
148 2PP3 LGT 0.003561 0.4111 6.4
149 1TDF FAD 0.002672 0.40747 6.4
150 4WVH ASP HIS ASP ALA HIS ALA 0.01027 0.4059 6.4
151 3SP6 IL2 0.008846 0.4057 6.4
152 3P7I P7I 0.01367 0.4052 6.4
153 4E28 0MZ 0.02057 0.40209 6.4
154 2IYG FMN 0.002109 0.42435 6.45161
155 1BTN I3P 0.002637 0.49531 6.60377
156 1YRX FMN 0.001321 0.42745 6.61157
157 3S9K CIT 0.01473 0.45001 6.77966
158 1I0B PEL 0.001006 0.49997 7.2
159 3TDC 0EU 0.00383 0.49293 7.2
160 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.007349 0.45219 7.2
161 1E4I NFG 0.00276 0.43853 7.2
162 1EYE PMM 0.0009631 0.43765 7.2
163 4CCO OGA 0.003048 0.43318 7.2
164 1T10 F6P 0.004872 0.42991 7.2
165 3F81 STT 0.01702 0.42899 7.2
166 3O2K DST 0.003979 0.42822 7.2
167 3SIX GDP 0.002852 0.41924 7.2
168 1R6D NAD 0.001981 0.417 7.2
169 4JWX 1N4 0.008043 0.41511 7.2
170 3O2K QRP 0.005003 0.41414 7.2
171 3UEC ALA ARG TPO LYS 0.01959 0.41339 7.2
172 1R6D DAU 0.002574 0.41232 7.2
173 2C5S AMP 0.009584 0.40714 7.2
174 2PT9 2MH 0.001636 0.40167 7.2
175 2Y7P SAL 0.00001998 0.52663 8
176 1TV5 N8E 0.003703 0.45335 8
177 3I8P 840 0.001487 0.42098 8
178 2NCD ADP 0.008266 0.41973 8
179 4B9E FAH 0.01595 0.41767 8
180 1I2B UPG 0.01537 0.41381 8
181 1I2B USQ 0.01537 0.41381 8
182 1I2B NAD 0.01537 0.41381 8
183 3IU9 T07 0.003231 0.41283 8
184 4G8R 96P 0.02577 0.41056 8
185 2YVF NAD 0.004993 0.40842 8
186 2YVF FAD 0.004769 0.40842 8
187 4BG1 OGA 0.001401 0.40585 8
188 4BG1 IVL 0.001401 0.40585 8
189 4IHL 1F5 0.02476 0.40202 8
190 1BRW URA 0.03844 0.40147 8
191 4I90 CHT 0.04293 0.40103 8
192 1WDA BAG 0.01393 0.40038 8
193 2XN5 FUN 0.01995 0.40673 8.57143
194 4MRP GSH 0.01434 0.44025 8.8
195 1B5E DCM 0.002838 0.42911 8.8
196 2XK9 XK9 0.0006908 0.4135 8.8
197 3KJQ B94 0.004466 0.41162 8.8
198 1GAD NAD 0.0005619 0.40598 8.8
199 3W54 RNB 0.01205 0.40294 8.8
200 2QLX RM4 0.001459 0.4671 9.25926
201 3TKA CTN 0.0008068 0.5101 9.6
202 1RZM E4P 0.0004442 0.49162 9.6
203 4OKD GLC GLC GLC 0.006071 0.4414 9.6
204 1Q11 TYE 0.003819 0.42898 9.6
205 2VDJ HSE 0.01496 0.42513 9.6
206 1RZM PEP 0.007469 0.41649 9.6
207 1EB9 HBA 0.003654 0.41503 9.6
208 1A27 EST 0.002234 0.41445 9.6
209 3CMJ SRT 0.02 0.40997 9.6
210 1XVB 3BR 0.02119 0.40542 9.6
211 1KOL NAD 0.001816 0.40265 9.6
212 1C1L GAL BGC 0.001163 0.47178 10.4
213 4NAO AKG 0.0112 0.42501 10.4
214 2RHQ GAX 0.0002869 0.42456 10.4
215 3B6C SDN 0.01498 0.42154 10.4
216 2DTX BMA 0.0007583 0.41832 10.4
217 3MAG 3MA 0.005281 0.46381 11.2
218 4C6F DOR 0.0006707 0.44927 11.2
219 4C6F NCD 0.0006707 0.44927 11.2
220 3KPE TM3 0.01034 0.4208 11.7647
221 4OYA 1VE 0.008282 0.41686 12
222 2C7G FAD 0.005193 0.40427 12
223 2C2A ADP 0.003757 0.40222 12
224 1HDR NAD 0.004817 0.40065 12
225 3E5P PPI 0.004015 0.49061 12.8
226 1QDS PGA 0.001557 0.43456 12.8
227 2HFK E4H 0.003011 0.43341 12.8
228 1LTT GAL BGC 0.008706 0.42628 12.8
229 1SJW NGV 0.001499 0.42085 12.8
230 4NAT ADP 0.005553 0.41643 12.8
231 3CF6 SP1 0.003298 0.4082 12.8
232 2Q2V NAD 0.0007979 0.40744 12.8
233 1SQ5 PAU 0.01521 0.4032 12.8
234 1SQ5 ADP 0.007599 0.40258 12.8
235 4NAT 2W5 0.002173 0.40131 12.8
236 2Q8H TF4 0.0004215 0.51163 13.6
237 4UBS DIF 0.0108 0.42785 13.6
238 2GSD NAD 0.0008598 0.41178 13.6
239 2YPO PHE 0.0006403 0.40895 13.6
240 3I9U DTU 0.02069 0.40608 13.6
241 3HP9 CF1 0.004904 0.45349 14.4
242 3GJB AKG 0.007498 0.41158 14.4
243 3FAL REA 0.01923 0.40022 14.4
244 1TUV VK3 0.04299 0.40804 14.9123
245 1M2Z BOG 0.0007882 0.5174 15.2
246 1Z48 FMN 0.001203 0.42437 15.2
247 2R5T ANP 0.001415 0.4057 15.2
248 1NHZ 486 0.008622 0.40299 15.2
249 3JQ3 ADP 0.0009218 0.44371 16
250 3PLN U5P 0.009375 0.41225 16
251 4OAR 2S0 0.006922 0.40716 16
252 4FR3 0V4 0.007748 0.40617 16
253 4FR3 LYS ARG ARG LYS SEP VAL 0.008919 0.40401 16
254 4IAE 1DX 0.002089 0.4158 16.8
255 1XE7 GUN 0.0441 0.40746 16.8
256 3D2Y AH0 ALA FGA LYS 0.002422 0.40519 16.8
257 1YYE 196 0.005456 0.42626 17.6
258 1G0N PHH 0.0009661 0.41711 17.6
259 2I0G I0G 0.009352 0.41095 17.6
260 1O9U ADZ 0.0006033 0.50363 19.2
261 1W3R PYR 0.004117 0.45286 20
262 2FR6 URI 0.000699 0.42406 20
263 2XDQ MGX 0.0005808 0.50448 20.8
264 4F8L GAL 0.02885 0.43183 23.4483
265 4Q0A 4OA 0.002639 0.40389 24.8
266 4J24 EST 0.02128 0.40161 26.3158
267 2EB5 OXL 0.003591 0.44189 27.2
268 4GYW UDP 0.001341 0.40312 42.8571
Feedback