Receptor
PDB id Resolution Class Description Source Keywords
1TB3 2.3 Å EC: 1.1.3.15 CRYSTAL STRUCTURE ANALYSIS OF RECOMBINANT RAT KIDNEY LONG- CHAIN HYDROXY ACID OXIDASE RATTUS NORVEGICUS LONG CHAIN ALPHA-HYDROXY ACID OXIDASE FLAVOPROTEIN OXIDASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE ANALYSIS OF RECOMBINANT RAT KIDNEY LONG CHAIN HYDROXY ACID OXIDASE. BIOCHEMISTRY V. 44 1521 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:1402;
B:2402;
C:3402;
D:4402;
E:5402;
F:6402;
G:7402;
H:8402;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
60.052 C2 H4 O2 CC(=O...
FMN A:1401;
B:2401;
C:3401;
D:4401;
E:5401;
F:6401;
G:7401;
H:8401;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TB3 2.3 Å EC: 1.1.3.15 CRYSTAL STRUCTURE ANALYSIS OF RECOMBINANT RAT KIDNEY LONG- CHAIN HYDROXY ACID OXIDASE RATTUS NORVEGICUS LONG CHAIN ALPHA-HYDROXY ACID OXIDASE FLAVOPROTEIN OXIDASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE ANALYSIS OF RECOMBINANT RAT KIDNEY LONG CHAIN HYDROXY ACID OXIDASE. BIOCHEMISTRY V. 44 1521 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3SGZ - HO6 C10 H8 N2 O2 S2 Cc1ccc(cc1....
2 1TB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3SGZ - HO6 C10 H8 N2 O2 S2 Cc1ccc(cc1....
2 1TB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1AL8 Ki = 4.8 uM DHP C14 H23 N O3 CCCCCCCCCC....
2 1GOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3SGZ - HO6 C10 H8 N2 O2 S2 Cc1ccc(cc1....
4 1TB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1P5B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2A7N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1HUV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 2A85 - HOC C8 H16 O3 CCCCCC[C@@....
9 3GIY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1P4C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 2A7P - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 1FCB - PYR C3 H4 O3 CC(=O)C(=O....
13 2RDW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 2RDT Ki ~ 15 nM 2RD C15 H27 N3 O2 S CCCCCCCCCC....
15 2RDU - GLV C2 H2 O3 C(=O)C(=O)....
16 2J6X - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 4YL2 - PYR C3 H4 O3 CC(=O)C(=O....
18 2DU2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 2E77 - PYR C3 H4 O3 CC(=O)C(=O....
20 2ZFA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 4RJE - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
22 2NLI - LAC C3 H6 O3 C[C@H](C(=....
23 1KBJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TB3; Ligand: FMN; 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: 1tb3.bio3) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1TB3; Ligand: FMN; 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: 1tb3.bio3) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1tb3.bio3) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1TB3; Ligand: FMN; 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: 1tb3.bio3) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1tb3.bio3) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: 143
This union binding pocket(no: 6) in the query (biounit: 1tb3.bio3) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3UDZ ADP 0.01239 0.40451 1.70455
2 3KRU FMN 0.0000212 0.47101 1.74927
3 2PHX MAN MAN 0.02229 0.41706 1.98413
4 1UKG MMA 0.02089 0.41401 1.98413
5 2GNM MAN 0.02286 0.40813 1.98413
6 1Q8Q MAN MMA 0.03069 0.40803 1.98413
7 2GN3 MAN 0.04137 0.40588 1.98413
8 1Q8S MAN MMA 0.03406 0.40549 1.98413
9 2Q3R FMN 0.0000002558 0.60892 1.98864
10 2CUN 3PG 0.0272 0.40972 1.98864
11 1O0S NAI 0.005046 0.40941 1.98864
12 4WCX ALA 0.02513 0.40441 1.98864
13 2YPI PGA 0.006052 0.43818 2.02429
14 3TAO PGH 0.001545 0.46813 2.24719
15 1F8I GLV 0.01429 0.42464 2.27273
16 2ZUX RAM 0.02496 0.41429 2.27273
17 2BTM PGA 0.005677 0.44426 2.38095
18 5OCS FMN 0.00000127 0.58478 2.55682
19 4M5P FMN 0.000002566 0.55851 2.55682
20 3CL5 SIO 0.005474 0.45041 2.55682
21 1IGW PYR 0.01015 0.43659 2.55682
22 1OX5 1PR 0.001692 0.417 2.55682
23 2IMP LAC 0.03236 0.40989 2.55682
24 3B0P FMN 0.0000005179 0.61744 2.57143
25 4XP7 FNR 0.00000008981 0.50943 2.60116
26 3QH2 3NM 0.001589 0.47861 2.71493
27 2FLI DX5 0.001649 0.43663 2.72727
28 2OMN IPH 0.02338 0.41332 2.76498
29 4QNW FMN 0.0000001823 0.60835 2.84091
30 1VYP TNF 0.000001188 0.55542 2.84091
31 1VYP FMN 0.000000889 0.55507 2.84091
32 4D1J DGJ 0.02412 0.41692 2.84091
33 2VGK REZ 0.02164 0.41633 2.84091
34 1ADO 13P 0.004816 0.40458 2.84091
35 2A1X AKG 0.02985 0.40066 2.92208
36 4BI7 PGA 0.002892 0.45942 3.11284
37 4JIQ 1L5 0.0000002626 0.57642 3.125
38 2Q3O FMN 0.000001365 0.56435 3.125
39 4JIQ FMN 0.0000002626 0.53281 3.125
40 2GOU FMN 0.00000119 0.50954 3.125
41 1Q6O LG6 0.007348 0.42184 3.24074
42 4TMC HBA 0.00000119 0.55539 3.40909
43 4TMC FMN 0.000002355 0.55426 3.40909
44 2F6U CIT 0.006269 0.44696 3.4188
45 4I9A NCN 0.001672 0.44793 3.47222
46 2X00 GYN 0.0214 0.40314 3.52423
47 1EP2 FMN 0.0001431 0.45876 3.85852
48 1EP2 ORO 0.0000764 0.44202 3.85852
49 2DW7 SRT 0.03449 0.40345 3.97727
50 3T7V MD0 0.02712 0.41301 4
51 3HF3 FMN 0.0000008967 0.57211 4.01146
52 5T96 79J 0.02925 0.40818 4.09357
53 2JFN GLU 0.01458 0.41883 4.21053
54 3TY3 GGG 0.01358 0.43205 4.26136
55 1B4U DHB 0.04085 0.40341 4.30464
56 3H22 B53 0.01007 0.41901 4.3771
57 3GLC R5P 0.02235 0.40571 4.40678
58 3EPO MP5 0.009656 0.40943 4.54545
59 3W9Z FMN 0.0000009726 0.59001 4.65839
60 3ATY FMN 0.00000256 0.54174 4.74934
61 1DJN FMN 0.000009516 0.52329 4.82955
62 3DG6 MUC 0.02103 0.40351 4.82955
63 1QPR PPC 0.009616 0.40333 4.92958
64 4ZGR NGA GAL 0.0433 0.40394 4.98084
65 1ICP FMN 0.0000007275 0.54302 5.11364
66 1PS9 FMN 0.00001852 0.51613 5.11364
67 1QDS PGA 0.003437 0.45059 5.57769
68 1VHN FMN 0.00006465 0.53096 5.66038
69 4A3U FMN 0.00000008272 0.62324 5.68182
70 4CW5 FMN 0.00001141 0.54172 5.68182
71 2Z6I FMN 0.00001508 0.51993 5.68182
72 2Z9V PXM 0.02013 0.41995 5.68182
73 1Z41 FMN 0.0000005853 0.61494 5.91716
74 1Z48 FMN 0.0000007284 0.61047 5.91716
75 1Z44 FMN 0.000001832 0.59917 5.91716
76 1Z42 FMN 0.000007316 0.57756 5.91716
77 2Z6J FMN 0.0000309 0.48073 6.0241
78 4HKP 16B 0.01004 0.40867 6.08974
79 1P4V GLY 0.03248 0.40942 6.1017
80 1APZ ASP 0.01725 0.42354 6.17284
81 1OFD AKG 0.00001636 0.4705 6.25
82 1OFD FMN 0.00001976 0.45769 6.25
83 5EYW PGA 0.01491 0.42248 6.4257
84 1SW0 PGA 0.004563 0.43987 6.45161
85 1EIX BMQ 0.009054 0.41404 6.53061
86 4JEJ 1GP 0.006738 0.43151 6.55738
87 4NAE 1GP 0.0002946 0.52062 6.66667
88 2CJW GDP 0.03146 0.4018 6.77083
89 2OEM 1AE 0.01248 0.41828 6.81818
90 3BRN SRO 0.04076 0.40336 7.00637
91 1OYB FMN 0.000001578 0.5559 7.10227
92 1OYB HBA 0.0000008979 0.54959 7.10227
93 3FYP PEP 0.008105 0.44174 7.14286
94 4YMZ 13P 0.004489 0.44954 7.17131
95 4O48 ASP 0.03519 0.40779 7.53012
96 2GJN FMN 0.00001201 0.50952 7.62195
97 2GJN NIS 0.00001643 0.49534 7.62195
98 1RZM E4P 0.04147 0.40303 7.69231
99 1M5W DXP 0.04544 0.40091 7.81893
100 3BW2 FMN 0.00000551 0.50509 7.85908
101 2WCI GSH 0.0112 0.42988 8.14815
102 1WQ1 AF3 0.04197 0.4025 8.38323
103 2IDO TMP 0.02593 0.41534 8.43373
104 1VKF CIT 0.04269 0.40134 8.51064
105 1FDJ 13P 0.01147 0.43537 8.52273
106 1FDJ 2FP 0.008711 0.426 8.52273
107 1GTE IUR 0.00001578 0.46412 9.09091
108 1GTE FMN 0.00001578 0.46412 9.09091
109 3UWV 2PG 0.006466 0.41084 9.1954
110 1TRD PGH 0.005325 0.43657 9.2
111 1UJP CIT 0.004271 0.42914 9.22509
112 3OIX FMN 0.0002373 0.46493 9.56522
113 2HSA FMN 0.000001056 0.53682 9.65909
114 2ZRU FMN 0.0000004004 0.50883 9.94318
115 4IXH IMP 0.008217 0.40053 9.94318
116 2R14 FMN 0.000002842 0.52978 10.2273
117 2R14 TXD 0.000001349 0.52069 10.2273
118 3EXS 5RP 0.005889 0.43878 10.4072
119 4D00 SIA GAL NAG 0.01138 0.42858 10.4294
120 1O68 KIV 0.02188 0.41801 10.5455
121 4UTU LRY 0.002554 0.44779 10.917
122 4UTW RFW 0.003397 0.43766 10.917
123 1OVD FMN 0.00001283 0.50116 11.8971
124 1OVD ORO 0.00001283 0.45815 11.8971
125 1LYX PGA 0.0006874 0.47524 12.0968
126 4AF0 IMP 0.003708 0.41811 12.5
127 4IGH 1EA 0.0001591 0.4845 13.0682
128 4IGH ORO 0.0001591 0.4845 13.0682
129 4IGH FMN 0.0001591 0.4845 13.0682
130 1F76 FMN 0.0001386 0.46671 13.3929
131 4ORM 2V6 0.0004466 0.46507 14.4886
132 4ORM FMN 0.0004466 0.46507 14.4886
133 4Q4K FMN 0.000002809 0.53494 15.3409
134 1TV5 FMN 0.00007185 0.47424 16.4786
135 3MJY IJZ 0.00001957 0.48781 17.6301
136 3MJY FMN 0.00001957 0.47236 17.6301
137 2B4G FMN 0.00001868 0.4974 17.9811
138 3C3N FMN 0.00003748 0.44786 19.8718
139 4EWN 0VR 0.01367 0.40908 21.7391
140 4WZH FMN 0.00004767 0.48539 21.902
141 1Z0A GDP 0.02882 0.40375 22.9885
142 2JAC GSH 0.02501 0.41634 32.7273
143 4N02 FNR 0.000002171 0.54467 38.3523
Pocket No.: 7; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1tb3.bio3) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1tb3.bio3) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: 13
This union binding pocket(no: 9) in the query (biounit: 1tb3.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UP5 94W 0.006945 0.43878 None
2 2PHT MAN MAN MAN 0.03197 0.40325 1.98413
3 1KKR 2AS 0.01967 0.41584 1.98864
4 2CFC KPC 0.03471 0.40214 2.4
5 5OFW 9TW 0.03078 0.40264 3.13901
6 4A38 BZS 0.02898 0.40487 3.40909
7 2W58 ADP 0.02744 0.40472 4.45545
8 1M3U KPL 0.02921 0.40082 5.68182
9 2UVO NAG 0.01636 0.41503 5.84795
10 3JQA DX4 0.01496 0.43031 6.25
11 4URS C2E 0.01135 0.42921 8.51064
12 5A5W GUO 0.004282 0.41999 9.09091
13 1LES GLC FRU 0.02687 0.40405 32.6923
Pocket No.: 10; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1tb3.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1tb3.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1tb3.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1tb3.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1tb3.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 1tb3.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1tb3.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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