-->
Receptor
PDB id Resolution Class Description Source Keywords
1EGD 2.4 Å EC: 1.3.99.3 STRUCTURE OF T255E, E376G MUTANT OF HUMAN MEDIUM CHAIN ACYL- COA DEHYDROGENASE HOMO SAPIENS ACYL-COA DEHYDROGENASE FLAVOPROTEIN ELECTRON TRANSFER
Ref.: CRYSTAL STRUCTURES OF THE WILD TYPE AND THE GLU376GLY/THR255GLU MUTANT OF HUMAN MEDIUM-CHAIN ACYL-COA DEHYDROGENASE: INFLUENCE OF THE LOCATION OF THE CATALYTIC BASE ON SUBSTRATE SPECIFICITY. BIOCHEMISTRY V. 35 12412 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:399;
B:399;
C:399;
D:399;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EGD 2.4 Å EC: 1.3.99.3 STRUCTURE OF T255E, E376G MUTANT OF HUMAN MEDIUM CHAIN ACYL- COA DEHYDROGENASE HOMO SAPIENS ACYL-COA DEHYDROGENASE FLAVOPROTEIN ELECTRON TRANSFER
Ref.: CRYSTAL STRUCTURES OF THE WILD TYPE AND THE GLU376GLY/THR255GLU MUTANT OF HUMAN MEDIUM-CHAIN ACYL-COA DEHYDROGENASE: INFLUENCE OF THE LOCATION OF THE CATALYTIC BASE ON SUBSTRATE SPECIFICITY. BIOCHEMISTRY V. 35 12412 1996
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1EGD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 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 1EGD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EGD; Ligand: FAD; Similar sites found with APoc: 59
This union binding pocket(no: 1) in the query (biounit: 1egd.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 4JB0 FER 1.62162
2 6BMM OLB 1.70648
3 2I6U NVA 1.9544
4 1WUU GLA 2.27273
5 4GQP B40 2.40964
6 4L8F MTX 2.5641
7 1U8V FAD 2.77778
8 5N9X THR 2.77778
9 3UG4 AHR 2.77778
10 3JYY PPV 3.13589
11 1NSA BEN 3.29114
12 2RIF AMP 3.5461
13 5FQK 6NT 3.71747
14 1GPM AMP 3.78788
15 3GUZ PAF 3.97727
16 5GP0 GPP 4.02685
17 4UZI IMD 4.0404
18 5EHS 2JJ 4.10448
19 5EHS 5OY 4.10448
20 4YKI GLY 4.29688
21 2D4V FLC 4.79798
22 1C96 FLC 4.79798
23 5EO8 TFU 4.82315
24 4NTO 1PW 4.83092
25 1XKD ICT 5.30303
26 4A34 FUL 5.44218
27 3SZB I1E 5.55556
28 1B74 DGN 5.90551
29 3ZUY TCH 7.12074
30 5I8F ML1 7.27273
31 5XJ7 87O 7.46269
32 1II5 GLU 8.58369
33 5URY PAM 8.90411
34 3IP8 B85 9.09091
35 4EKQ NPO 9.62567
36 4INI AMP 10
37 2AGC DAO 12.3457
38 3RHC GSH 12.3894
39 1LTT GAL BGC 13.5922
40 1LT3 GAL BGC 13.5922
41 2WCV FUC 17.1429
42 2DDH HXD 17.1717
43 2DDH FAD 17.1717
44 5MR6 FAD 19.4444
45 5YS9 FAD 19.697
46 5Y9D FAD 19.9495
47 3DJL FAD 30.0505
48 4XVX P33 FDA 32.1337
49 4XVX P6G FDA 32.1337
50 4Y9J UCC 35.8586
51 4Y9J FAD 35.8586
52 4KCF FMN 36.6162
53 2C0U FAD NBT 42.9293
54 4X28 FDA 43.9394
55 3MKH FAD 44.4444
56 3B96 FAD 45.4545
57 3D9F N6C 45.7071
58 3D9F FAD 45.7071
59 1R2J FAD 46.1749
Pocket No.: 2; Query (leader) PDB : 1EGD; Ligand: FAD; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 1egd.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 1MID LAP None
2 4UYG 73B None
3 4NOS H4B 1.76768
4 3TUR DGL 2.09059
5 3C3D FO1 2.2508
6 4O48 ASP 2.27273
7 5OKL PAM 2.27273
8 4CNK MEU 2.30179
9 4HXY ACA 2.52525
10 3BY9 SIN 2.69231
11 2IV3 UDP 3.21637
12 3M3E GAL A2G NPO 4.96894
13 5BWD FUM 5
14 4KSY 1SY 5.3719
15 3VV5 SLZ 5.76923
16 2XRH NIO 6
17 4UXM BE7 6.06061
18 5IDB MAN 6.33803
19 5IDB BMA 6.33803
20 6F5U CQN 6.54762
21 4IBF 1D5 6.97674
22 4AQ4 G3P 8.08081
23 5Z7B VNL 16.1616
24 6FS0 E4W 18.1395
Pocket No.: 3; Query (leader) PDB : 1EGD; Ligand: FAD; Similar sites found with APoc: 20
This union binding pocket(no: 3) in the query (biounit: 1egd.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 3L24 GOA 1.51515
2 1BGV GLU 1.76768
3 6BXL SAM 1.85185
4 4DE3 DN8 3.04183
5 1GXU 2HP 3.2967
6 2OFW ADX 3.36538
7 1P4V GLY 3.38983
8 3HQP FDP 3.53535
9 5NXX 3Q7 3.73134
10 1Z03 OCH 3.78788
11 2VCN ISZ 5.74713
12 2PYY GLU 7.45614
13 5CGE 51F 9.38628
14 4D52 GXL 9.52381
15 2ZHZ ATP 10.3825
16 6DAW ARG 12.5731
17 3HP8 SUC 15.4545
18 4PU6 ASP 16.0305
19 4B1M FRU FRU 16.2162
20 4B1L FRU 18.1818
Pocket No.: 4; Query (leader) PDB : 1EGD; Ligand: FAD; Similar sites found with APoc: 12
This union binding pocket(no: 4) in the query (biounit: 1egd.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZEI CRS None
2 2GWH PCI 2.34899
3 5FYR INS 3.02013
4 1TRD PGH 3.2
5 2W5T GP9 3.53535
6 5KZV HCD 3.93701
7 1FWV SGA MAG FUC 4.47761
8 5AHN IMP 7.32323
9 4TUZ 36J 7.84314
10 3UU7 2OH 7.96813
11 43CA NPO 9.73451
12 5LPG 71V 10.9756
APoc FAQ
Feedback