Receptor
PDB id Resolution Class Description Source Keywords
2R0N 2.3 Å EC: 1.3.99.7 THE EFFECT OF A GLU370ASP MUTATION IN GLUTARYL-COA DEHYDROGENASE ON PROTON TRANSFER TO THE DIENOLATE I NTERMEDIATE HOMO SAPIENS GLUTARYL-COA DEHYDROGENASE FLAVOPROTEIN ISOMERASE ALTERNATIVE SPLICING DISEASE MUTATION FAD MITOCHONDRIONOXIDOREDUCTASE POLYMORPHISM TRANSIT PEPTIDE
Ref.: THE EFFECT OF A GLU370ASP MUTATION IN GLUTARYL-COA DEHYDROGENASE ON PROTON TRANSFER TO THE DIENOLATE INTERMEDIATE. BIOCHEMISTRY V. 46 14468 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:400;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
TGC A:500;
Valid;
none;
submit data
899.672 C25 H40 N7 O19 P3 S2 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2R0N 2.3 Å EC: 1.3.99.7 THE EFFECT OF A GLU370ASP MUTATION IN GLUTARYL-COA DEHYDROGENASE ON PROTON TRANSFER TO THE DIENOLATE I NTERMEDIATE HOMO SAPIENS GLUTARYL-COA DEHYDROGENASE FLAVOPROTEIN ISOMERASE ALTERNATIVE SPLICING DISEASE MUTATION FAD MITOCHONDRIONOXIDOREDUCTASE POLYMORPHISM TRANSIT PEPTIDE
Ref.: THE EFFECT OF A GLU370ASP MUTATION IN GLUTARYL-COA DEHYDROGENASE ON PROTON TRANSFER TO THE DIENOLATE INTERMEDIATE. BIOCHEMISTRY V. 46 14468 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2R0N - TGC C25 H40 N7 O19 P3 S2 CC(C)(CO[P....
2 1SIQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2R0N - TGC C25 H40 N7 O19 P3 S2 CC(C)(CO[P....
2 1SIQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3D6B - 54D C6 H6 O2 S COC(=O)c1c....
4 3GQT - UFO C11 H17 N3 CN1CCN(c2c....
5 3GNC - QQQ C10 H12 N2 O3 S CC(C)n1c2c....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UDY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3MDE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3MDD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4L1F - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2R0N - TGC C25 H40 N7 O19 P3 S2 CC(C)(CO[P....
6 1SIQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5AHS - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
8 5AF7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 1EGD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 3PFD - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
11 3GQT - UFO C11 H17 N3 CN1CCN(c2c....
12 3GNC - QQQ C10 H12 N2 O3 S CC(C)n1c2c....
13 1JQI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 1BUC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 6AF6 - PRO GLY n/a n/a
16 5ZW2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
17 5ZW7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
18 5ZW8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 1UKW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
20 3MPJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
21 3MPI - GRA C26 H42 N7 O19 P3 S CC(C)(CO[P....
22 1RX0 - 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
Ligand no: 2; Ligand: TGC; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 TGC 1 1
2 MLC 0.862595 0.988636
3 CMC 0.861538 0.988636
4 CS8 0.854015 0.956044
5 SCA 0.849624 0.988636
6 1VU 0.847328 0.955556
7 GRA 0.844444 0.988636
8 HGG 0.843284 0.988636
9 1HE 0.834586 0.966667
10 IVC 0.834586 0.977273
11 BCO 0.834586 0.966292
12 3HC 0.834586 0.977273
13 ACO 0.830769 0.955556
14 CAA 0.828358 0.977273
15 OXK 0.825758 0.988636
16 3KK 0.818182 0.966292
17 COS 0.815385 0.944444
18 CAO 0.815385 0.934066
19 SOP 0.81203 0.966292
20 FAQ 0.810219 0.966292
21 CO6 0.80597 0.966292
22 HXC 0.804348 0.945055
23 MCA 0.801471 0.977528
24 2MC 0.8 0.924731
25 1CZ 0.792857 0.977528
26 CO8 0.792857 0.945055
27 0T1 0.792308 0.94382
28 FYN 0.791045 0.965909
29 3CP 0.789855 0.988636
30 2KQ 0.789855 0.966667
31 COO 0.788321 0.966292
32 UCC 0.787234 0.945055
33 ST9 0.787234 0.945055
34 5F9 0.787234 0.945055
35 MYA 0.787234 0.945055
36 DCC 0.787234 0.945055
37 MFK 0.787234 0.945055
38 COK 0.785185 0.944444
39 MC4 0.782609 0.914894
40 2CP 0.782609 0.977528
41 SCO 0.781955 0.965909
42 CMX 0.781955 0.965909
43 A1S 0.781022 0.966292
44 CIC 0.780142 0.988636
45 COA 0.778626 0.965909
46 COF 0.776978 0.945055
47 1GZ 0.776978 0.955556
48 COW 0.776978 0.955556
49 IRC 0.776978 0.977273
50 BYC 0.776978 0.966292
51 DCA 0.776923 0.922222
52 30N 0.774436 0.885417
53 BCA 0.771429 0.955556
54 HDC 0.770833 0.945055
55 2NE 0.767606 0.945055
56 ETB 0.763359 0.89011
57 FCX 0.762963 0.934066
58 4CO 0.762238 0.955556
59 0FQ 0.762238 0.966292
60 AMX 0.761194 0.954545
61 SCD 0.76087 0.965909
62 YNC 0.760274 0.955556
63 MCD 0.759124 0.944444
64 4CA 0.758865 0.955556
65 01A 0.756944 0.924731
66 1CV 0.751724 0.988636
67 FAM 0.75 0.923077
68 CA6 0.746377 0.877551
69 HAX 0.744526 0.923077
70 WCA 0.739726 0.945055
71 CAJ 0.735714 0.944444
72 NHM 0.734694 0.945055
73 NHW 0.734694 0.945055
74 UOQ 0.734694 0.945055
75 4KX 0.734694 0.934783
76 0ET 0.732877 0.945055
77 MRS 0.72973 0.945055
78 HFQ 0.72973 0.945055
79 MRR 0.72973 0.945055
80 NMX 0.728571 0.875
81 DAK 0.724832 0.956044
82 NHQ 0.721854 0.977273
83 8Z2 0.72 0.934783
84 CCQ 0.719178 0.945652
85 YE1 0.713287 0.933333
86 01K 0.707792 0.966292
87 CA8 0.703448 0.877551
88 COT 0.703226 0.966292
89 1HA 0.701299 0.945055
90 S0N 0.695946 0.944444
91 F8G 0.692308 0.925532
92 UCA 0.689441 0.945055
93 CA5 0.68323 0.924731
94 7L1 0.680851 0.955556
95 CA3 0.672956 0.966292
96 93M 0.658683 0.977528
97 93P 0.658537 0.977528
98 CO7 0.655405 0.966292
99 COD 0.633094 0.954545
100 HMG 0.608974 0.955056
101 4BN 0.603352 0.905263
102 5TW 0.603352 0.905263
103 COA PLM 0.601266 0.913043
104 PLM COA 0.601266 0.913043
105 OXT 0.601124 0.905263
106 JBT 0.586957 0.90625
107 BSJ 0.572222 0.956044
108 ASP ASP ASP ILE CMC NH2 0.554913 0.944444
109 PAP 0.523438 0.784091
110 191 0.521739 0.858586
111 ACE SER ASP ALY THR NH2 COA 0.494737 0.944444
112 RFC 0.494186 0.945055
113 SFC 0.494186 0.945055
114 PPS 0.488722 0.729167
115 A3P 0.476562 0.772727
116 0WD 0.464516 0.763441
117 PTJ 0.424658 0.863636
118 3AM 0.418605 0.761364
119 PUA 0.414634 0.793478
120 A22 0.412587 0.786517
121 PAJ 0.406897 0.875
122 48N 0.406452 0.802198
123 A2D 0.406015 0.775281
124 3OD 0.405405 0.818182
125 AGS 0.402878 0.8
126 SAP 0.402878 0.8
127 ATR 0.402878 0.772727
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2R0N; Ligand: FAD; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 2r0n.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1R2J FAD 40.7104
2 3B96 FAD 43.401
Pocket No.: 2; Query (leader) PDB : 2R0N; Ligand: TGC; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 2r0n.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
1 1R2J FAD 40.7104
Pocket No.: 3; Query (leader) PDB : 2R0N; 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: 3) in the query (biounit: 2r0n.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2R0N; 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: 4) in the query (biounit: 2r0n.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2R0N; 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: 5) in the query (biounit: 2r0n.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2R0N; 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: 6) in the query (biounit: 2r0n.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2R0N; Ligand: TGC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2r0n.bio2) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2R0N; Ligand: TGC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2r0n.bio2) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2R0N; Ligand: TGC; 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: 2r0n.bio2) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2R0N; Ligand: TGC; 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: 2r0n.bio2) has 54 residues
No: Leader PDB Ligand Sequence Similarity
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