Receptor
PDB id Resolution Class Description Source Keywords
2GMH 2.5 Å EC: 1.5.5.1 STRUCTURE OF PORCINE ELECTRON TRANSFER FLAVOPROTEIN- UBIQUINONE OXIDOREDUCTASE IN COMPLEXED WITH UBIQUINONE SUS SCROFA ELECTRON-TRANSFER OXIDOREDUCTASE FLAVOPROTEIN UBIQUINONE
Ref.: STRUCTURE OF ELECTRON TRANSFER FLAVOPROTEIN-UBIQUINONE OXIDOREDUCTASE AND ELECTRON TRANSFER TO THE MITOCHONDRIAL UBIQUINONE POOL. PROC.NATL.ACAD.SCI.USA V. 103 16212 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BHG A:616;
A:617;
B:618;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
264.315 C12 H24 O6 CCCCC...
EDO A:619;
A:621;
A:622;
A:623;
A:624;
A:625;
A:626;
A:627;
A:628;
B:620;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FAD A:611;
B:614;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
NA A:1070;
Part of Protein;
none;
submit data
22.99 Na [Na+]
SF4 A:610;
B:613;
Part of Protein;
Part of Protein;
none;
none;
submit data
351.64 Fe4 S4 [S]12...
UQ5 A:612;
B:615;
Valid;
Valid;
none;
none;
submit data
522.758 C34 H50 O4 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GMH 2.5 Å EC: 1.5.5.1 STRUCTURE OF PORCINE ELECTRON TRANSFER FLAVOPROTEIN- UBIQUINONE OXIDOREDUCTASE IN COMPLEXED WITH UBIQUINONE SUS SCROFA ELECTRON-TRANSFER OXIDOREDUCTASE FLAVOPROTEIN UBIQUINONE
Ref.: STRUCTURE OF ELECTRON TRANSFER FLAVOPROTEIN-UBIQUINONE OXIDOREDUCTASE AND ELECTRON TRANSFER TO THE MITOCHONDRIAL UBIQUINONE POOL. PROC.NATL.ACAD.SCI.USA V. 103 16212 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GMH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GMH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GMH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BHG; Similar ligands found: 77
No: Ligand ECFP6 Tc MDL keys Tc
1 BHG 1 1
2 JZR 1 1
3 GLC HEX 1 1
4 B7G 0.930233 0.975
5 KGM 0.930233 0.975
6 HSJ 0.909091 0.975
7 BNG 0.909091 0.975
8 BOG 0.909091 0.975
9 AFO 0.8 0.880952
10 DEG 0.795455 0.923077
11 LMU 0.655172 0.928571
12 LMT 0.655172 0.928571
13 DMU 0.655172 0.928571
14 UMQ 0.655172 0.928571
15 FK9 0.62963 0.926829
16 DR4 0.603448 0.880952
17 XNS 0.603448 0.880952
18 EBQ 0.557692 0.85
19 GLA GAL GLC NBU 0.540984 0.857143
20 BHG FUC 0.53125 0.906977
21 4YA 0.53125 0.906977
22 FUC BHG 0.53125 0.906977
23 EBG 0.528302 0.761905
24 OPM MAN MAN 0.522388 0.904762
25 BGB 0.492958 0.906977
26 BHE 0.492537 0.906977
27 6UZ 0.477612 0.772727
28 RGG 0.471698 0.75
29 AIG FUC 0.470588 0.75
30 GLA GAL BGC 5VQ 0.467742 0.809524
31 BGL 0.465517 0.975
32 AMG 0.458333 0.775
33 MMA 0.458333 0.775
34 GYP 0.458333 0.775
35 MBG 0.458333 0.775
36 MAN MMA 0.45614 0.72093
37 FEE 0.454545 0.735849
38 GM3 0.447368 0.75
39 CM5 0.444444 0.809524
40 DLG FUC 0.442857 0.906977
41 SER MAN 0.440678 0.6
42 BMA GLA 0.438596 0.714286
43 GLA BMA 0.438596 0.714286
44 BGC GLA 0.438596 0.714286
45 GLC GLC 0.438596 0.714286
46 MAN MAN 0.438596 0.714286
47 GLA BGC 0.438596 0.714286
48 LAK 0.438596 0.714286
49 GLA GLC 0.438596 0.714286
50 BGC GLC 0.438596 0.714286
51 BMA MAN 0.438596 0.714286
52 GAL GAL 0.438596 0.714286
53 GLC BGC 0.438596 0.714286
54 GAL GLC 0.438596 0.714286
55 MAN BMA 0.438596 0.714286
56 MLB 0.438596 0.714286
57 MA4 0.438356 0.809524
58 TRE 0.4375 0.714286
59 AOG FUC 0.43662 0.75
60 0SH 0.435897 0.735849
61 AGH 0.435897 0.735849
62 PBS 0.435897 0.735849
63 F61 0.435897 0.735849
64 10M 0.428571 0.866667
65 MAL EDO 0.42623 0.72093
66 BMA MAN MAN 0.423729 0.714286
67 GLC GLC GLC GLC BGC 0.423729 0.714286
68 GLC GLC GLC GLC GLC BGC 0.423729 0.714286
69 MAN MAN MAN 0.423729 0.714286
70 HTG 0.423729 0.860465
71 GLC GLC GLC 0.423729 0.714286
72 SOG 0.416667 0.860465
73 MK0 0.413333 0.764706
74 DA8 0.410959 0.906977
75 GLA EGA 0.409836 0.761905
76 03F 0.409639 0.722222
77 GAL SPH NER 0.404762 0.735849
Ligand no: 2; 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: 3; Ligand: UQ5; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 UQ 1 0.970588
2 UQ8 1 0.970588
3 U10 1 0.970588
4 UQ9 1 0.970588
5 UQ7 1 0.970588
6 UQ5 1 1
7 UQ2 0.92 0.969697
8 UQ1 0.603774 0.818182
9 MQ9 0.552239 0.684211
10 MQ7 0.552239 0.684211
11 UQ6 0.449275 0.756098
12 9BR 0.405405 0.636364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GMH; Ligand: BHG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2gmh.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GMH; Ligand: UQ5; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2gmh.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2GMH; Ligand: BHG; 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: 2gmh.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2GMH; 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: 2gmh.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2GMH; 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: 2gmh.bio2) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2GMH; Ligand: BHG; 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: 2gmh.bio2) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2GMH; Ligand: UQ5; 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: 2gmh.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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