Receptor
PDB id Resolution Class Description Source Keywords
1SG4 1.3 Å EC: 5.3.3.8 CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL DELTA3-DELTA2- ENOYL-COA ISOMERASE HOMO SAPIENS CROTONASE FOLD ISOMERASE
Ref.: THE 1.3 A CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL DELTA3-DELTA2-ENOYL-COA ISOMERASE SHOWS A NOVEL MODE OF BINDING FOR THE FATTY ACYL GROUP. J.MOL.BIOL. V. 342 1197 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO8 B:701;
Valid;
none;
submit data
893.73 C29 H50 N7 O17 P3 S CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SG4 1.3 Å EC: 5.3.3.8 CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL DELTA3-DELTA2- ENOYL-COA ISOMERASE HOMO SAPIENS CROTONASE FOLD ISOMERASE
Ref.: THE 1.3 A CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL DELTA3-DELTA2-ENOYL-COA ISOMERASE SHOWS A NOVEL MODE OF BINDING FOR THE FATTY ACYL GROUP. J.MOL.BIOL. V. 342 1197 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1SG4 - CO8 C29 H50 N7 O17 P3 S CCCCCCCC(=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1XX4 - BAM C7 H9 N2 c1ccc(cc1)....
2 1SG4 - CO8 C29 H50 N7 O17 P3 S CCCCCCCC(=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1XX4 - BAM C7 H9 N2 c1ccc(cc1)....
2 1SG4 - CO8 C29 H50 N7 O17 P3 S CCCCCCCC(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CO8; Similar ligands found: 152
No: Ligand ECFP6 Tc MDL keys Tc
1 CO8 1 1
2 MFK 0.992126 1
3 5F9 0.992126 1
4 UCC 0.992126 1
5 DCC 0.992126 1
6 ST9 0.992126 1
7 MYA 0.992126 1
8 HXC 0.953125 1
9 BCO 0.884615 0.977528
10 YNC 0.869565 0.945055
11 HDC 0.868613 1
12 GRA 0.865672 0.955556
13 1HE 0.856061 0.956044
14 1VU 0.854962 0.988764
15 SCA 0.843284 0.955556
16 3HC 0.842105 0.966292
17 IVC 0.842105 0.966292
18 CS8 0.834532 0.988889
19 MLC 0.828358 0.955556
20 ACO 0.824427 0.988764
21 HGG 0.823529 0.955556
22 MRR 0.822695 1
23 MRS 0.822695 1
24 CAA 0.822222 0.966292
25 NHM 0.815603 0.977778
26 UOQ 0.815603 0.977778
27 NHW 0.815603 0.977778
28 0ET 0.814286 0.977778
29 3KK 0.81203 0.977528
30 8Z2 0.811189 0.988889
31 CAO 0.80916 0.923913
32 COS 0.80916 0.934066
33 OXK 0.80597 0.955556
34 FAQ 0.804348 0.955556
35 0T1 0.8 0.955056
36 CO6 0.8 0.977528
37 2MC 0.794118 0.935484
38 TGC 0.792857 0.945055
39 FYN 0.785185 0.955056
40 DCA 0.784615 0.955056
41 COO 0.782609 0.955556
42 MCA 0.782609 0.966667
43 COK 0.779412 0.934066
44 SOP 0.779412 0.955556
45 YXS 0.776978 0.887755
46 MC4 0.776978 0.925532
47 YXR 0.776978 0.887755
48 CMC 0.773723 0.934066
49 COA 0.772727 0.955056
50 BYC 0.771429 0.955556
51 COW 0.771429 0.945055
52 KFV 0.771429 0.896907
53 IRC 0.771429 0.966292
54 1GZ 0.771429 0.945055
55 30N 0.768657 0.876289
56 AMX 0.768657 0.94382
57 CAJ 0.768116 0.955556
58 BCA 0.765957 0.945055
59 COA PLM 0.763889 0.966667
60 PLM COA 0.763889 0.966667
61 CMX 0.762963 0.933333
62 A1S 0.76259 0.955556
63 2NE 0.762238 0.934783
64 COF 0.758865 0.913979
65 3CP 0.758865 0.934066
66 ETB 0.757576 0.922222
67 HAX 0.751825 0.913043
68 2CP 0.751773 0.945055
69 SCO 0.75 0.933333
70 1CZ 0.75 0.945055
71 NMX 0.748201 0.865979
72 2KQ 0.746479 0.977778
73 FAM 0.744526 0.913043
74 FCX 0.744526 0.903226
75 SCD 0.742857 0.933333
76 4CA 0.741259 0.923913
77 CA6 0.741007 0.887755
78 MCD 0.741007 0.955556
79 WCA 0.734694 0.934783
80 4KX 0.72973 0.924731
81 KGP 0.728571 0.887755
82 YZS 0.728571 0.887755
83 CCQ 0.726027 0.935484
84 CIC 0.726027 0.934066
85 0FQ 0.721088 0.934066
86 4CO 0.721088 0.923913
87 DAK 0.72 0.924731
88 J5H 0.72 0.955556
89 01A 0.716216 0.894737
90 HFQ 0.713333 0.913979
91 KGJ 0.713287 0.876289
92 1CV 0.711409 0.955556
93 CA8 0.710345 0.868687
94 KGA 0.710345 0.867347
95 LCV 0.708333 0.878788
96 YE1 0.708333 0.923077
97 SO5 0.708333 0.878788
98 1HA 0.707792 0.934783
99 UCA 0.70625 0.977778
100 NHQ 0.705882 0.944444
101 S0N 0.702703 0.913043
102 01K 0.692308 0.955556
103 7L1 0.687943 0.988764
104 F8G 0.687898 0.93617
105 CA3 0.679245 0.934066
106 COT 0.677215 0.934066
107 CA5 0.668712 0.894737
108 CO7 0.662162 0.955556
109 93P 0.654545 0.923913
110 93M 0.64497 0.923913
111 N9V 0.636364 0.923913
112 COD 0.628571 0.94382
113 HMG 0.605096 0.923077
114 4BN 0.6 0.93617
115 5TW 0.6 0.93617
116 JBT 0.592391 0.916667
117 OXT 0.588889 0.93617
118 COA FLC 0.577181 0.922222
119 BSJ 0.551913 0.904255
120 ASP ASP ASP ILE CMC NH2 0.534091 0.913043
121 191 0.52795 0.887755
122 PAP 0.51938 0.775281
123 SFC 0.5 0.956044
124 RFC 0.5 0.956044
125 PPS 0.485075 0.721649
126 ACE SER ASP ALY THR NH2 COA 0.484375 0.913043
127 A3P 0.472868 0.764045
128 0WD 0.470968 0.755319
129 1ZZ 0.461538 0.866667
130 OMR 0.444444 0.877778
131 S2N 0.43662 0.688889
132 PTJ 0.431507 0.833333
133 MDE 0.421875 0.978022
134 PUA 0.420732 0.784946
135 A22 0.41958 0.777778
136 MYR AMP 0.418919 0.846154
137 NA7 0.417808 0.820225
138 3AM 0.415385 0.752809
139 YLB 0.414013 0.888889
140 PAJ 0.413793 0.844444
141 ATR 0.410072 0.764045
142 9BG 0.409938 0.755319
143 5SV 0.406897 0.853933
144 WAQ 0.405405 0.822222
145 YLP 0.403846 0.888889
146 A2D 0.402985 0.766667
147 HQG 0.402778 0.777778
148 A2R 0.402778 0.777778
149 3OD 0.402685 0.788889
150 8LE 0.401408 0.811111
151 SAP 0.4 0.791209
152 AGS 0.4 0.791209
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SG4; Ligand: CO8; 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: 1sg4.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1SG4; Ligand: CO8; 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: 1sg4.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SG4; Ligand: CO8; 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: 1sg4.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback