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: 136
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 SAP 0.484615 0.811765
23 AGS 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 ATP 0.48062 0.851852
27 HEJ 0.48062 0.851852
28 AP5 0.480315 0.875
29 B4P 0.480315 0.875
30 ADP 0.480315 0.851852
31 ANP 0.477273 0.831325
32 5FA 0.476923 0.851852
33 AQP 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 AT4 0.465116 0.821429
40 AN2 0.465116 0.841463
41 HQG 0.463235 0.841463
42 AD9 0.462121 0.831325
43 3OD 0.460993 0.876543
44 RBF 0.460938 0.790123
45 FB0 0.460606 0.835165
46 139 0.460526 0.858824
47 AP0 0.46 0.835294
48 A22 0.459854 0.864198
49 ACP 0.458015 0.853659
50 8QN 0.456522 0.864198
51 PRX 0.454545 0.831325
52 A1R 0.453237 0.86747
53 A3R 0.453237 0.86747
54 G3A 0.452055 0.902439
55 T5A 0.45098 0.872093
56 G5P 0.44898 0.902439
57 ATF 0.448529 0.821429
58 50T 0.44697 0.819277
59 OZV 0.446043 0.851852
60 6YZ 0.445255 0.853659
61 ACQ 0.444444 0.853659
62 CNV FAD 0.443182 0.917647
63 PAJ 0.442857 0.847059
64 ADQ 0.442857 0.853659
65 8LE 0.441176 0.855422
66 5AL 0.441176 0.864198
67 CA0 0.439394 0.853659
68 ADX 0.439394 0.775281
69 8LQ 0.438849 0.865854
70 A4P 0.437909 0.831461
71 25L 0.4375 0.864198
72 P33 FDA 0.436464 0.817204
73 KG4 0.43609 0.853659
74 5SV 0.435714 0.793103
75 8LH 0.434783 0.843373
76 OMR 0.434211 0.818182
77 TXE 0.434211 0.890244
78 45A 0.434109 0.829268
79 ABM 0.434109 0.829268
80 AMP 0.433071 0.82716
81 A 0.433071 0.82716
82 4AD 0.432624 0.855422
83 ADJ 0.432258 0.818182
84 B5Y 0.431507 0.878049
85 B5M 0.431507 0.878049
86 BIS 0.430556 0.802326
87 SRA 0.429688 0.788235
88 AFH 0.42953 0.825581
89 NXX 0.427632 0.865854
90 UP5 0.427632 0.878049
91 TXD 0.427632 0.890244
92 6V0 0.427632 0.857143
93 DND 0.427632 0.865854
94 DQV 0.426667 0.8875
95 SRP 0.42446 0.843373
96 PR8 0.423611 0.837209
97 TAT 0.423358 0.821429
98 T99 0.423358 0.821429
99 AMO 0.422535 0.865854
100 FYA 0.42069 0.864198
101 TXA 0.42069 0.865854
102 PTJ 0.42069 0.835294
103 CNA 0.420382 0.865854
104 00A 0.41958 0.823529
105 AHX 0.41958 0.835294
106 MAP 0.41844 0.811765
107 NAI 0.418301 0.845238
108 AU1 0.41791 0.831325
109 AP2 0.416667 0.843373
110 A12 0.416667 0.843373
111 9ZA 0.415493 0.845238
112 9ZD 0.415493 0.845238
113 25A 0.415493 0.851852
114 COD 0.415094 0.842697
115 4TC 0.412903 0.879518
116 APC 0.411765 0.843373
117 ME8 0.410959 0.806818
118 NB8 0.410959 0.835294
119 1ZZ 0.410959 0.806818
120 ADP MG 0.410448 0.82716
121 NAX 0.409091 0.837209
122 4UW 0.409091 0.825581
123 F2R 0.408805 0.850575
124 RBY 0.408759 0.843373
125 ADV 0.408759 0.843373
126 P1H 0.405882 0.818182
127 OOB 0.405594 0.864198
128 A A 0.40411 0.829268
129 LAD 0.40411 0.825581
130 UPA 0.403846 0.86747
131 4UU 0.401316 0.833333
132 GA7 0.401316 0.865854
133 A3D 0.401235 0.876543
134 80F 0.401235 0.808989
135 XAH 0.4 0.806818
136 DLL 0.4 0.864198
Ligand no: 2; Ligand: TGC; Similar ligands found: 141
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 IVC 0.834586 0.977273
10 1HE 0.834586 0.966667
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 CAO 0.815385 0.934066
18 COS 0.815385 0.944444
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 CO8 0.792857 0.945055
26 1CZ 0.792857 0.977528
27 0T1 0.792308 0.94382
28 FYN 0.791045 0.965909
29 2KQ 0.789855 0.966667
30 3CP 0.789855 0.988636
31 COO 0.788321 0.966292
32 DCC 0.787234 0.945055
33 MYA 0.787234 0.945055
34 ST9 0.787234 0.945055
35 5F9 0.787234 0.945055
36 UCC 0.787234 0.945055
37 MFK 0.787234 0.945055
38 COK 0.785185 0.944444
39 2CP 0.782609 0.977528
40 MC4 0.782609 0.914894
41 YXS 0.782609 0.877551
42 YXR 0.782609 0.877551
43 CMX 0.781955 0.965909
44 SCO 0.781955 0.965909
45 A1S 0.781022 0.966292
46 CIC 0.780142 0.988636
47 COA 0.778626 0.965909
48 COW 0.776978 0.955556
49 BYC 0.776978 0.966292
50 IRC 0.776978 0.977273
51 COF 0.776978 0.945055
52 1GZ 0.776978 0.955556
53 KFV 0.776978 0.886598
54 DCA 0.776923 0.922222
55 30N 0.774436 0.885417
56 BCA 0.771429 0.955556
57 HDC 0.770833 0.945055
58 2NE 0.767606 0.945055
59 ETB 0.763359 0.89011
60 FCX 0.762963 0.934066
61 4CO 0.762238 0.955556
62 0FQ 0.762238 0.966292
63 AMX 0.761194 0.954545
64 SCD 0.76087 0.965909
65 YNC 0.760274 0.955556
66 MCD 0.759124 0.944444
67 4CA 0.758865 0.955556
68 01A 0.756944 0.924731
69 1CV 0.751724 0.988636
70 FAM 0.75 0.923077
71 CA6 0.746377 0.877551
72 HAX 0.744526 0.923077
73 WCA 0.739726 0.945055
74 CAJ 0.735714 0.944444
75 NHW 0.734694 0.945055
76 NHM 0.734694 0.945055
77 UOQ 0.734694 0.945055
78 4KX 0.734694 0.934783
79 YZS 0.733813 0.877551
80 KGP 0.733813 0.877551
81 0ET 0.732877 0.945055
82 MRS 0.72973 0.945055
83 HFQ 0.72973 0.945055
84 MRR 0.72973 0.945055
85 NMX 0.728571 0.875
86 DAK 0.724832 0.956044
87 J5H 0.724832 0.966292
88 NHQ 0.721854 0.977273
89 8Z2 0.72 0.934783
90 CCQ 0.719178 0.945652
91 KGJ 0.71831 0.865979
92 LCV 0.713287 0.887755
93 YE1 0.713287 0.933333
94 SO5 0.713287 0.887755
95 01K 0.707792 0.966292
96 CA8 0.703448 0.877551
97 KGA 0.703448 0.876289
98 COT 0.703226 0.966292
99 1HA 0.701299 0.945055
100 S0N 0.695946 0.944444
101 F8G 0.692308 0.925532
102 UCA 0.689441 0.945055
103 CA5 0.68323 0.924731
104 7L1 0.680851 0.955556
105 CA3 0.672956 0.966292
106 93M 0.658683 0.977528
107 93P 0.658537 0.977528
108 CO7 0.655405 0.966292
109 N9V 0.651316 0.934066
110 COD 0.633094 0.954545
111 HMG 0.608974 0.955056
112 4BN 0.603352 0.905263
113 5TW 0.603352 0.905263
114 COA PLM 0.601266 0.913043
115 PLM COA 0.601266 0.913043
116 OXT 0.601124 0.905263
117 JBT 0.586957 0.90625
118 COA FLC 0.581081 0.932584
119 BSJ 0.572222 0.956044
120 ASP ASP ASP ILE CMC NH2 0.554913 0.944444
121 PAP 0.523438 0.784091
122 191 0.521739 0.858586
123 ACE SER ASP ALY THR NH2 COA 0.494737 0.944444
124 RFC 0.494186 0.945055
125 SFC 0.494186 0.945055
126 PPS 0.488722 0.729167
127 A3P 0.476562 0.772727
128 0WD 0.464516 0.763441
129 PTJ 0.424658 0.863636
130 3AM 0.418605 0.761364
131 PUA 0.414634 0.793478
132 A22 0.412587 0.786517
133 PAJ 0.406897 0.875
134 48N 0.406452 0.802198
135 A2D 0.406015 0.775281
136 HQG 0.405594 0.806818
137 3OD 0.405405 0.818182
138 9BG 0.403727 0.763441
139 SAP 0.402878 0.8
140 AGS 0.402878 0.8
141 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: 3
This union binding pocket(no: 1) in the query (biounit: 2r0n.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 6CXT FAD 25.7895
2 1R2J FAD 40.7104
3 3B96 FAD 43.401
Pocket No.: 2; Query (leader) PDB : 2R0N; Ligand: TGC; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 2r0n.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
1 6CXT FAD 25.7895
2 1R2J FAD 40.7104
Pocket No.: 3; Query (leader) PDB : 2R0N; Ligand: FAD; Similar sites found with APoc: 3
This union binding pocket(no: 3) in the query (biounit: 2r0n.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 6CXT FAD 25.7895
2 1R2J FAD 40.7104
3 3B96 FAD 43.401
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: 2
This union binding pocket(no: 7) in the query (biounit: 2r0n.bio2) has 54 residues
No: Leader PDB Ligand Sequence Similarity
1 6CXT FAD 25.7895
2 1R2J FAD 40.7104
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
APoc FAQ
Feedback