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Receptor
PDB id Resolution Class Description Source Keywords
3JRX 2.5 Å EC: 6.4.1.2 CRYSTAL STRUCTURE OF THE BC DOMAIN OF ACC2 IN COMPLEX WITH SORAPHEN A HOMO SAPIENS BC DOMAIN SORAPHEN A ALTERNATIVE SPLICING ATP-BINDING BIOTIN FATTY ACID BIOSYNTHESIS LIGASE LIPID SYNTHESIS MANGANESE MEMBRANE METAL-BINDING MULTIFUNCTIONAL ENZYMENUCLEOTIDE-BINDING PHOSPHOPROTEIN POLYMORPHISM
Ref.: MOLECULAR MECHANISM FOR THE REGULATION OF HUMAN ACC2 THROUGH PHOSPHORYLATION BY AMPK. BIOCHEM.BIOPHYS.RES.COMMUN. V. 391 187 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
S1A A:1000;
Valid;
none;
Kd ~ 1 nM
520.655 C29 H44 O8 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3JRX 2.5 Å EC: 6.4.1.2 CRYSTAL STRUCTURE OF THE BC DOMAIN OF ACC2 IN COMPLEX WITH SORAPHEN A HOMO SAPIENS BC DOMAIN SORAPHEN A ALTERNATIVE SPLICING ATP-BINDING BIOTIN FATTY ACID BIOSYNTHESIS LIGASE LIPID SYNTHESIS MANGANESE MEMBRANE METAL-BINDING MULTIFUNCTIONAL ENZYMENUCLEOTIDE-BINDING PHOSPHOPROTEIN POLYMORPHISM
Ref.: MOLECULAR MECHANISM FOR THE REGULATION OF HUMAN ACC2 THROUGH PHOSPHORYLATION BY AMPK. BIOCHEM.BIOPHYS.RES.COMMUN. V. 391 187 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3JRX Kd ~ 1 nM S1A C29 H44 O8 C[C@H]1C=C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3JRX Kd ~ 1 nM S1A C29 H44 O8 C[C@H]1C=C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3JRX Kd ~ 1 nM S1A C29 H44 O8 C[C@H]1C=C....
2 1W96 Kd ~ 3.9 nM S1A C29 H44 O8 C[C@H]1C=C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: S1A; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 S1A 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3JRX; Ligand: S1A; Similar sites found with APoc: 120
This union binding pocket(no: 1) in the query (biounit: 3jrx.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3RV5 DXC None
3 2JC9 ADN 0.900901
4 5IM3 DTP 1.1925
5 1ZPD CIT 1.58451
6 3COW 52H 1.66113
7 4OKD GLC GLC GLC 1.70358
8 6ARJ SAH 2.04429
9 5OSW DIU 2.05832
10 1UOU CMU 2.1097
11 5IVE 6E8 2.12121
12 5L2R MLA 2.21465
13 4DW4 U5P 2.39521
14 1J78 VDY 2.40175
15 3SAO DBH 2.5
16 3SFI 3SF 2.54237
17 3LJU IP9 2.59067
18 4RW3 PLM 2.64901
19 1ZED PNP 2.89256
20 4ZQX ATP 2.95359
21 2A1L PCW 2.96296
22 2RH1 CLR 3
23 4UCC ZKW 3.00429
24 4GN8 ASO 3.01003
25 1NF8 BOG 3.38164
26 3CV2 COA 3.38346
27 1TV5 N8E 3.40716
28 5LY1 PPI 3.41207
29 3R9V DXC 3.4965
30 6A46 DCM 3.51562
31 2O1V ADP 3.74787
32 4A7W GTP 3.75
33 4XU6 TDA 3.80952
34 2WG9 OCA 3.84615
35 5EW9 5VC 3.91823
36 2I0G I0G 3.91823
37 4F4S EFO 3.94737
38 6BR8 PGV 3.96825
39 1F9V ADP 4.03458
40 4Y9J UCC 4.08859
41 4MRP GSH 4.08859
42 6CB2 OLC 4.09556
43 2FV5 541 4.21456
44 5M37 9SZ 4.34783
45 2GWH PCI 4.36242
46 3NV6 CAM 4.42478
47 3VSV XYP 4.4293
48 5UGW GSH 4.57143
49 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 4.58891
50 4D06 NAR 4.59364
51 1SR7 MOF 4.6332
52 4QEK GLC 4.65116
53 3V66 D3A 4.70588
54 5DYO FLU 4.71698
55 2BCG GER 4.85437
56 4ZGM 32M 4.91803
57 5W7B MYR 4.96454
58 4V3I ASP LEU THR ARG PRO 5.05837
59 1H0A I3P 5.06329
60 1NU4 MLA 5.15464
61 3ETG GTP 5.18962
62 2Q6B HR2 5.21542
63 2BHZ MAL 5.28109
64 5TVI MYR 5.43478
65 5L7G 6QE 5.57377
66 4I90 CHT 5.61056
67 3AB4 THR 5.70071
68 5CHR 4NC 5.83942
69 3WYJ H78 5.92885
70 2EV9 SKM 6.08365
71 5V4R MGT 6.17284
72 4UDB CV7 6.25
73 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.46258
74 1JGS SAL 6.52174
75 5A4W QCT 6.60377
76 2A3I C0R 6.71937
77 1DKF OLA 6.80851
78 5G48 1FL 6.95187
79 4WH9 3M8 7.10383
80 5OCA 9QZ 7.14286
81 2EVL GAL SPH EIC 7.17703
82 6GNO XDI 7.40741
83 1XQP 8HG 7.42188
84 1R6N 434 7.58294
85 2GOO NDG 7.84314
86 5M36 9SZ 7.89474
87 3E70 GDP 8.00681
88 2XMY CDK 8.38926
89 1QKQ MAN 8.4507
90 3CHT 4NB 8.63095
91 4WGF HX2 8.78049
92 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 9.18367
93 4E2J MOF 9.2
94 5LX9 OLB 9.44625
95 2YLD CMO 9.44882
96 3CBC DBS 10.101
97 2D5X L35 10.274
98 2OWZ CIT 10.5422
99 2Y69 CHD 11.2426
100 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 12
101 5AAV GW5 12.6984
102 5MWE TCE 12.8571
103 3N7S 3N7 13.0435
104 5C9J DAO 14.1414
105 5WL1 CUY 14.1414
106 3KP6 SAL 16.5563
107 5C1M OLC 17.2297
108 5C1M CLR 17.2297
109 1MID LAP 17.5824
110 2VWA PTY 17.8218
111 1DZT TPE 18.5792
112 5LWY OLA 19.3277
113 5LWY OLB 19.3277
114 3L9R L9R 21.4286
115 6GMN F4E 25.3086
116 4OGQ 7PH 32.2581
117 4OGQ 1O2 32.2581
118 5Z84 CHD 37.5
119 5W97 CHD 37.5
120 5ZCO CHD 37.5
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