Receptor
PDB id Resolution Class Description Source Keywords
1OQC 1.8 Å EC: 1.-.-.- THE CRYSTAL STRUCTURE OF AUGMENTER OF LIVER REGENERATION: A FAD DEPENDENT SULFHYDRYL OXIDASE RATTUS NORVEGICUS SULFHYDRYL OXIDASE LIVER REGENERATION ALR HELIX-TURN-HELIOXIDOREDUCTASE
Ref.: THE REFINED CRYSTAL STRUCTURE OF AUGMENTER OF LIVER REGENERATION INT.UNION CRYST.(MEETING) V. 1 293 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:126;
B:126;
C:126;
D:126;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
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
1OQC 1.8 Å EC: 1.-.-.- THE CRYSTAL STRUCTURE OF AUGMENTER OF LIVER REGENERATION: A FAD DEPENDENT SULFHYDRYL OXIDASE RATTUS NORVEGICUS SULFHYDRYL OXIDASE LIVER REGENERATION ALR HELIX-TURN-HELIOXIDOREDUCTASE
Ref.: THE REFINED CRYSTAL STRUCTURE OF AUGMENTER OF LIVER REGENERATION INT.UNION CRYST.(MEETING) V. 1 293 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1OQC - 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 : 1OQC; Ligand: FAD; Similar sites found: 78
This union binding pocket(no: 1) in the query (biounit: 1oqc.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HBK MYR 0.004135 0.46653 None
2 5TVI MYR 0.009638 0.4582 None
3 4F4S EFO 0.004126 0.4477 None
4 4WG0 CHD 0.00508 0.4403 None
5 1RL4 BL5 0.0265 0.41804 None
6 2RKN LP3 0.01286 0.40559 None
7 4FHT DHB 0.03317 0.4035 None
8 3L1N PLM 0.03068 0.4023 None
9 3SP6 IL2 0.009383 0.40153 None
10 1KNY KAN 0.01261 0.42479 1.6
11 3AJ6 NGA 0.01817 0.40932 1.6
12 3B6C SDN 0.01005 0.42761 2.4
13 4A7W GTP 0.01231 0.42339 2.4
14 2VDY HCY 0.03051 0.40322 2.4
15 3AHQ FAD 0.000142 0.46774 3.2
16 4MRP GSH 0.01389 0.4362 3.2
17 3EE4 MYR 0.003351 0.41424 4
18 4M51 BEZ 0.0204 0.40685 4
19 4RW3 SHV 0.00225 0.46244 4.8
20 4TV1 36M 0.005014 0.44331 4.8
21 4MG8 27J 0.005144 0.42433 4.8
22 4MGD 27N 0.005655 0.42239 4.8
23 5HYR EST 0.006501 0.41955 4.8
24 5DXE EST 0.007285 0.41722 4.8
25 2QA8 GEN 0.007645 0.41623 4.8
26 3B9Z CO2 0.03012 0.41502 4.8
27 3UUD EST 0.00958 0.41162 4.8
28 4TUZ 36J 0.01228 0.41031 4.8
29 1QY8 RDI 0.009759 0.40757 4.8
30 3P0K FAD 0.00001068 0.51419 5.6
31 3O01 DXC 0.005939 0.46723 5.6
32 3UST FAD 0.00005741 0.44838 5.6
33 1YC4 43P 0.004232 0.43259 5.6
34 1YYE 196 0.005831 0.42177 5.6
35 2YJD YJD 0.005945 0.41748 5.6
36 3OLL EST 0.008674 0.40993 5.6
37 2V5E SCR 0.01669 0.40983 5.6
38 4JZB P2H 0.01962 0.40046 5.6
39 2XN5 FUN 0.01544 0.40937 5.71429
40 1M2Z BOG 0.0005926 0.52335 6.4
41 1NF8 BOG 0.003575 0.4653 6.4
42 1I0B PEL 0.01615 0.40996 6.4
43 4URX FK1 0.0004641 0.4958 7.2
44 4X8D AVI 0.02715 0.40503 7.2
45 3BJE URA 0.03066 0.40094 8
46 5MWE TCE 0.01283 0.42211 8.64198
47 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.00744 0.45109 8.8
48 1TV5 N8E 0.004049 0.44813 8.8
49 1E4I NFG 0.002744 0.438 8.8
50 5C1M OLC 0.0146 0.43735 8.8
51 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.04018 0.40051 8.8
52 5OCA 9QZ 0.003349 0.44616 9.6
53 2PFC PLM 0.009838 0.41495 9.6
54 4OKD GLC GLC GLC 0.02001 0.41248 9.6
55 3NV6 CAM 0.02007 0.4052 9.6
56 3CV2 COA 0.03553 0.4018 9.6
57 3TDC 0EU 0.003793 0.485 10.4
58 4NZ6 DGL 0.0338 0.40158 10.4
59 2WOR 2AN 0.002095 0.47051 12
60 3M31 FAD 0.0007245 0.43482 12
61 2QJY UQ2 0.03251 0.40097 12
62 5HCV 60R 0.007147 0.40347 12.8
63 2BHW NEX 0.0196 0.42767 13.6
64 2Q4X HMH 0.01555 0.41953 15.2
65 2F2G HMH 0.0154 0.41668 15.2
66 3ZGJ RMN 0.01583 0.41294 15.2
67 1XVB 3BR 0.0154 0.40943 15.2
68 3LLI FAD 0.00000001421 0.59241 16.8
69 1S8G DAO 0.0132 0.40878 17.3554
70 4URN NOV 0.01947 0.41265 18.4
71 3FAL REA 0.01628 0.40074 20
72 5LWY OLB 0.008587 0.41386 21.6
73 5LX9 OLB 0.009135 0.41259 21.6
74 3QCP FAD 0.00000002062 0.59637 22.4
75 3T58 FAD 0.000000001758 0.60294 24.8
76 2CB8 MYA 0.01294 0.42508 26.4368
77 3GWL FAD 0.00002646 0.48512 33.0189
78 3GWN FAD 0.000000002983 0.67797 34.2105
Pocket No.: 2; Query (leader) PDB : 1OQC; 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: 1oqc.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1OQC; Ligand: FAD; Similar sites found: 27
This union binding pocket(no: 3) in the query (biounit: 1oqc.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DCH 1YO 0.012 0.42706 None
2 1XZ3 ICF 0.03434 0.41599 None
3 2XRH NIO 0.02639 0.41312 None
4 5V4R MGT 0.03242 0.40846 None
5 5EB3 UEG 0.0148 0.40712 None
6 3Q85 GNP 0.01855 0.4069 1.6
7 2CIX CEJ 0.002041 0.44982 4
8 4V3I ASP LEU THR ARG PRO 0.03946 0.404 4
9 1KSK URA 0.02689 0.40241 4
10 3R9V DXC 0.0001786 0.47754 4.8
11 5ERM 210 0.01822 0.41882 4.8
12 1FAO 4IP 0.02426 0.4091 4.8
13 2V95 HCY 0.03123 0.40553 4.8
14 4MGB XDH 0.01028 0.4046 4.8
15 4MGA 27L 0.03539 0.40213 4.8
16 5CX6 CDP 0.03105 0.40568 5.6
17 4JZX 476 0.01273 0.40377 5.6
18 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.02924 0.40079 5.6
19 1LCF OXL 0.01733 0.40165 6.4
20 3BPX SAL 0.03545 0.40108 6.4
21 2ZZV LAC 0.03171 0.40167 7.2
22 2UW1 GVM 0.02853 0.40359 8
23 3CMJ SRT 0.02488 0.40294 8
24 3HP9 CF1 0.005744 0.44793 8.8
25 1UUY PPI 0.008351 0.42367 8.8
26 5V3Y 5V8 0.02177 0.40343 9.6
27 2Q8H TF4 0.03904 0.41031 13.6
Pocket No.: 4; Query (leader) PDB : 1OQC; 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: 1oqc.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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