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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...
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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 (25)
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 1KBI - PYR C3 H4 O3 CC(=O)C(=O....
13 1FCB - PYR C3 H4 O3 CC(=O)C(=O....
14 6BFG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 2RDW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 2RDT Ki ~ 15 nM 2RD C15 H27 N3 O2 S CCCCCCCCCC....
17 2RDU - GLV C2 H2 O3 C(=O)C(=O)....
18 2J6X - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 4YL2 - PYR C3 H4 O3 CC(=O)C(=O....
20 2DU2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 2E77 - PYR C3 H4 O3 CC(=O)C(=O....
22 2ZFA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 4RJE - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
24 2NLI - LAC C3 H6 O3 C[C@H](C(=....
25 1KBJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 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 with APoc: 156
This union binding pocket(no: 1) in the query (biounit: 1tb3.bio3) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 4UP5 94W None
2 6BE0 COA 1.65563
3 3UDZ ADP 1.70455
4 5A5D 5LC 1.7301
5 3KRU FMN 1.74927
6 1F1V DHY 1.85759
7 2GNM MAN 1.98413
8 1UKG MMA 1.98413
9 1Q8Q MAN MMA 1.98413
10 2PHU MAN MAN 1.98413
11 1Q8S MAN MMA 1.98413
12 1Q8V MAN MAN 1.98413
13 2PHT MAN MAN MAN 1.98413
14 1Q8O MAN MMA 1.98413
15 2PHX MAN MAN 1.98413
16 2Q3R FMN 1.98864
17 1O0S NAI 1.98864
18 2CUN 3PG 1.98864
19 5MW8 ATP 1.98864
20 2YPI PGA 2.02429
21 4ZVV NAD 2.10843
22 4ZVV GN0 2.10843
23 3TAO PGH 2.24719
24 4B16 NAG 2.25564
25 6C4A PYR 2.27273
26 2AWN ADP 2.27273
27 2BTM PGA 2.38095
28 5OCS FMN 2.55682
29 4M5P FMN 2.55682
30 3CL5 SIO 2.55682
31 1IGW PYR 2.55682
32 1EC9 XYH 2.55682
33 1OX5 1PR 2.55682
34 3B0P FMN 2.57143
35 4XP7 FNR 2.60116
36 3QH2 3NM 2.71493
37 2FLI DX5 2.72727
38 4QNW FMN 2.84091
39 1VYP TNF 2.84091
40 1VYP FMN 2.84091
41 4TQK NAG 2.84091
42 3AKI AH8 2.84091
43 4D1J DGJ 2.84091
44 2VGK REZ 2.84091
45 4BI7 PGA 3.11284
46 2GOU FMN 3.125
47 4JIQ FMN 3.125
48 4JIQ 1L5 3.125
49 2Q3O FMN 3.125
50 2YFO GLA 3.125
51 2YFO GAL 3.125
52 6BVE PGA 3.26531
53 4TMC HBA 3.40909
54 4TMC FMN 3.40909
55 2F6U CIT 3.4188
56 4I9A NCN 3.47222
57 1EP2 ORO 3.85852
58 1EP2 FMN 3.85852
59 2DW7 SRT 3.97727
60 3HF3 FMN 4.01146
61 2GUC MAN 4.09836
62 2V7Q ADP 4.26136
63 5TG5 JW8 4.4898
64 3S6X SIA GAL BGC 4.61538
65 3W9Z FMN 4.65839
66 3ATY FMN 4.74934
67 1DJN FMN 4.82955
68 3DG6 MUC 4.82955
69 1O5Q PYR 4.91803
70 1ICP FMN 5.11364
71 1PS9 FMN 5.11364
72 5GVH FMN 5.11364
73 1WD4 AHR 5.11364
74 6BKA FMN 5.39773
75 5Z49 RUB 5.43933
76 1W3T 3GR 5.44218
77 1QDS PGA 5.57769
78 1VHN FMN 5.66038
79 4A3U FMN 5.68182
80 4CW5 FMN 5.68182
81 2Z6I FMN 5.68182
82 2Z9V PXM 5.68182
83 1M3U KPL 5.68182
84 1Z48 FMN 5.91716
85 1Z41 FMN 5.91716
86 1Z42 FMN 5.91716
87 1Z44 FMN 5.91716
88 2XN2 GLA 5.96591
89 2Z6J FMN 6.0241
90 1P4V GLY 6.1017
91 1APZ ASP 6.17284
92 1OFD AKG 6.25
93 1OFD FMN 6.25
94 3JQF AX2 6.25
95 3JQ7 DX2 6.25
96 1SW0 PGA 6.45161
97 1EIX BMQ 6.53061
98 4JEJ 1GP 6.55738
99 4NAE 1GP 6.66667
100 5TQZ GLC 6.66667
101 5NDB 8TW 6.8
102 2OEM 1AE 6.81818
103 3BRN SRO 7.00637
104 1OYB HBA 7.10227
105 1OYB FMN 7.10227
106 5E9G GLV 7.10227
107 2IGA XX3 7.10227
108 4YMZ 13P 7.17131
109 4O48 ASP 7.53012
110 2GJN NIS 7.62195
111 2GJN FMN 7.62195
112 5AHN IMP 7.67045
113 3BW2 FMN 7.85908
114 2WCI GSH 8.14815
115 1WOG 16D 8.19672
116 2WUL GSH 8.47458
117 1FDJ 13P 8.52273
118 1GZ4 ATP 8.52273
119 1GTE IUR 9.09091
120 1GTE FMN 9.09091
121 1TRD PGH 9.2
122 3OIX FMN 9.56522
123 2HSA FMN 9.65909
124 6DW2 HD4 9.70464
125 2ZRU FMN 9.94318
126 2R14 FMN 10.2273
127 2R14 TXD 10.2273
128 3EXS 5RP 10.4072
129 1O68 KIV 10.5455
130 4UTU LRY 10.917
131 4UTW RFW 10.917
132 1OVD ORO 11.8971
133 1OVD FMN 11.8971
134 1LYX PGA 12.0968
135 4IGH 1EA 13.0682
136 4IGH ORO 13.0682
137 4IGH FMN 13.0682
138 1F76 FMN 13.3929
139 4ORM ORO 14.4886
140 4ORM FMN 14.4886
141 4ORM 2V6 14.4886
142 4Q4K FMN 15.3409
143 2H8Z 8CM 16.4773
144 2H8Z FMN 16.4773
145 1TV5 FMN 16.4786
146 5XFV FMN 17.0659
147 3MJY FMN 17.6301
148 3MJY IJZ 17.6301
149 1UUO ORO 18.4659
150 1UUO FMN 18.4659
151 1UUO BRF 18.4659
152 3C3N FMN 19.8718
153 4WZH FMN 21.902
154 1GXU 2HP 25.2747
155 2JAC GSH 32.7273
156 4N02 FNR 38.3523
Pocket No.: 2; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 56
This union binding pocket(no: 2) in the query (biounit: 1tb3.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1KKR 2AS 1.98864
2 4WCX ALA 1.98864
3 2ZUX RAM 2.27273
4 2CFC KPC 2.4
5 2VWT PYR 2.62172
6 1ADO 13P 2.84091
7 5OFW 9TW 3.13901
8 2WQ4 SFU 3.20513
9 1Q6O LG6 3.24074
10 4A38 BZS 3.40909
11 2HIM ASN 3.69318
12 2C6Q NDP 3.7037
13 5TWB FAD 4.06977
14 5T96 79J 4.09357
15 3TY3 GGG 4.26136
16 1B4U DHB 4.30464
17 3H22 B53 4.3771
18 3GLC R5P 4.40678
19 5O74 GDP 4.44444
20 2W58 ADP 4.45545
21 5MIT FAD 4.58716
22 5MIT NAP 4.58716
23 1QPR PPC 4.92958
24 4Z87 5GP 5.39773
25 5YJS SAL 5.39773
26 4Z1D PEP 5.43478
27 2UVO NAG 5.84795
28 5C9P FUC 5.96591
29 4HKP 16B 6.08974
30 3JQA DX4 6.25
31 5EYW PGA 6.4257
32 2XOM GAL GAL GAL 6.57895
33 2CJW GDP 6.77083
34 43CA NPO 6.83761
35 3FYP PEP 7.14286
36 5YRL GLC GLC 7.74648
37 5J5R 6G1 7.95455
38 5J5R IMP 7.95455
39 1WQ1 AF3 8.38323
40 4URS C2E 8.51064
41 1VKF CIT 8.51064
42 1FDJ 2FP 8.52273
43 1Y4Z PCI 8.52273
44 5A5W GUO 9.09091
45 3UWV 2PG 9.1954
46 1UJP CIT 9.22509
47 2Y88 2ER 9.83607
48 4IXH IMP 9.94318
49 4D00 SIA GAL NAG 10.4294
50 4AF0 IMP 12.5
51 5CSS G3P 12.8319
52 1P6O HPY 13.0435
53 5YRF GLC GLC 13.3803
54 5YRI GLC GLC 13.3803
55 4EWN 0VR 21.7391
56 1LES GLC FRU 32.6923
Pocket No.: 3; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 1tb3.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5WXU FLC 1.42045
2 3VPH NAD 1.93548
3 3VPH OXM 1.93548
4 5ZZO FLC 3.48259
5 1PVN MZP 4.82955
6 1ME8 RVP 4.82955
7 4PVR ASP 7.41935
8 1W8S FBP 8.36502
9 2IDO TMP 8.43373
10 5N1Q TP7 15.7088
Pocket No.: 4; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 7
This union binding pocket(no: 4) in the query (biounit: 1tb3.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1JQY A32 None
2 2A92 NAI 1.86916
3 2OMN IPH 2.76498
4 1GUZ NAD 3.22581
5 2HYQ MAN MAN 4.09836
6 2GUD MAN 4.09836
7 4UIN QI9 8.88889
Pocket No.: 5; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 12
This union binding pocket(no: 5) in the query (biounit: 1tb3.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2GND MAN 1.98413
2 2GN3 MAN 1.98413
3 2YVK MRU 2.55682
4 2J5V PCA 2.84091
5 1SR9 KIV 3.125
6 3K5I AIR 3.22581
7 3U6W KIV 3.69318
8 2JFN GLU 4.21053
9 4Z0G 5GP 5.39773
10 5NG7 SER 6.02007
11 5AHM IMP 7.67045
12 3SQG TP7 17.2043
Pocket No.: 6; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 15
This union binding pocket(no: 6) in the query (biounit: 1tb3.bio3) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 2IMP LAC 2.55682
2 2A1X AKG 2.92208
3 2X00 GYN 3.52423
4 5O9W AKG 3.69318
5 6CI9 F3V 3.861
6 5GP0 GPP 4.02685
7 3EPO MP5 4.54545
8 1SQL GUN 4.79452
9 4ZGR NGA GAL 4.98084
10 2QF7 AGS 5.39773
11 1M5W DXP 7.81893
12 2E27 AB0 8.40336
13 6A63 LAT 13.0435
14 1Z0A GDP 22.9885
15 5JY4 ISC 25.5682
Pocket No.: 7; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 2
This union binding pocket(no: 7) in the query (biounit: 1tb3.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3G4Q MCH 2.05479
2 4K6B GLU 6.21118
Pocket No.: 8; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 3
This union binding pocket(no: 8) in the query (biounit: 1tb3.bio3) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 4LEB THR THR THR THR THR THR THR 2.33333
2 3W6X HZP 6.9869
3 3RF4 FUN 19.8276
Pocket No.: 9; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1tb3.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1TB3; Ligand: FMN; Similar sites found with APoc: 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 Sequence Similarity
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