Receptor
PDB id Resolution Class Description Source Keywords
5AZC 1.9 Å EC: 2.4.99.- CRYSTAL STRUCTURE OF ESCHERICHIA COLI LGT IN COMPLEX WITH PHOSPHATIDYLGLYCEROL ESCHERICHIA COLI INHIBITOR COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF E. COLI LIPOPROTEIN DIACYLGLYC TRANSFERASE NAT COMMUN V. 7 10198 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PGT A:302;
A:305;
A:307;
A:310;
A:304;
A:308;
A:301;
A:309;
A:306;
A:303;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
none;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
submit data
751.023 C40 H79 O10 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AZC 1.9 Å EC: 2.4.99.- CRYSTAL STRUCTURE OF ESCHERICHIA COLI LGT IN COMPLEX WITH PHOSPHATIDYLGLYCEROL ESCHERICHIA COLI INHIBITOR COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF E. COLI LIPOPROTEIN DIACYLGLYC TRANSFERASE NAT COMMUN V. 7 10198 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5AZB - BOG C14 H28 O6 CCCCCCCCO[....
2 5AZC - PGT C40 H79 O10 P CCCCCCCCCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5AZB - BOG C14 H28 O6 CCCCCCCCO[....
2 5AZC - PGT C40 H79 O10 P CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5AZB - BOG C14 H28 O6 CCCCCCCCO[....
2 5AZC - PGT C40 H79 O10 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PGT; Similar ligands found: 112
No: Ligand ECFP6 Tc MDL keys Tc
1 LHG 1 1
2 PGT 1 1
3 CD4 0.870968 0.954545
4 44G 0.868852 1
5 PGW 0.867647 0.977778
6 D3D 0.867647 0.977778
7 DR9 0.855072 0.977778
8 PGV 0.855072 0.977778
9 P6L 0.842857 0.977778
10 PGK 0.842857 0.93617
11 OZ2 0.830986 0.977778
12 DGG 0.808219 0.93617
13 CN3 0.771429 0.954545
14 PTY 0.746269 0.826923
15 PEH 0.746269 0.826923
16 8PE 0.746269 0.826923
17 PEV 0.746269 0.826923
18 PEF 0.746269 0.826923
19 CN6 0.742857 0.954545
20 P5S 0.73913 0.843137
21 PEE 0.735294 0.811321
22 9PE 0.735294 0.826923
23 HGP 0.714286 0.701754
24 PLD 0.714286 0.701754
25 PX4 0.714286 0.701754
26 HGX 0.714286 0.701754
27 LIO 0.714286 0.701754
28 6PL 0.714286 0.701754
29 PC7 0.714286 0.701754
30 6PH 0.703125 0.911111
31 3PH 0.703125 0.911111
32 7PH 0.703125 0.911111
33 F57 0.703125 0.911111
34 LPP 0.703125 0.911111
35 7P9 0.692308 0.911111
36 PX2 0.692308 0.888889
37 PX8 0.692308 0.888889
38 PA8 0.676923 0.888889
39 AGA 0.666667 0.955556
40 XP5 0.661972 0.701754
41 L9Q 0.657895 0.811321
42 LOP 0.657895 0.811321
43 6OU 0.657895 0.811321
44 PII 0.648649 0.84
45 CDL 0.647887 0.866667
46 PD7 0.646154 0.911111
47 P50 0.64557 0.807692
48 PSF 0.633803 0.843137
49 TGL 0.633333 0.659091
50 PCW 0.632911 0.689655
51 ZPE 0.620253 0.811321
52 PCK 0.617284 0.666667
53 D21 0.616438 0.891304
54 M7U 0.616438 0.911111
55 HXG 0.611111 0.701754
56 PIF 0.61039 0.823529
57 P3A 0.609756 0.934783
58 PIZ 0.6 0.803922
59 GP7 0.595238 0.811321
60 L2C 0.59375 0.704545
61 1EM 0.59375 0.704545
62 DGA 0.59375 0.704545
63 DDR 0.59375 0.704545
64 FAW 0.59375 0.704545
65 44E 0.590909 0.911111
66 PEK 0.590361 0.811321
67 IP9 0.5875 0.803922
68 PIO 0.5875 0.823529
69 52N 0.5875 0.823529
70 PSC 0.581395 0.689655
71 B7N 0.578313 0.823529
72 3PE 0.565789 0.75
73 PCF 0.551282 0.660714
74 PC1 0.551282 0.660714
75 MC3 0.551282 0.660714
76 GYM 0.539683 0.727273
77 1QW 0.539683 0.727273
78 PDK 0.537634 0.716667
79 LBR 0.535211 0.652174
80 LAP 0.526316 0.736842
81 LPC 0.526316 0.736842
82 LP3 0.526316 0.736842
83 PGM 0.520548 0.933333
84 PIE 0.517241 0.769231
85 T7X 0.516484 0.823529
86 NKN 0.507246 0.911111
87 NKO 0.507246 0.911111
88 2JT 0.5 0.666667
89 G2A 0.5 0.666667
90 EPH 0.5 0.811321
91 POV 0.494253 0.649123
92 L9R 0.494253 0.649123
93 S12 0.493976 0.807692
94 SQD 0.482759 0.640625
95 CN5 0.481013 0.933333
96 OLC 0.472222 0.711111
97 OLB 0.472222 0.711111
98 42H 0.470588 0.724138
99 BQ9 0.469136 0.688889
100 DGD 0.467391 0.618182
101 1O2 0.456522 0.6
102 MVC 0.452055 0.711111
103 3TF 0.451613 0.6
104 NKP 0.448718 0.891304
105 PCJ 0.44186 0.607143
106 78N 0.438356 0.711111
107 78M 0.438356 0.711111
108 DLP 0.43617 0.649123
109 1L2 0.42 0.6
110 DB4 0.402439 0.764706
111 GGD 0.4 0.607143
112 PBU 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AZC; Ligand: PGT; 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: 5azc.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5AZC; Ligand: PGT; 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: 5azc.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 5azc.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
1 5LX9 OLB 4.66667
Pocket No.: 4; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 5azc.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5LX9 OLB 4.66667
Pocket No.: 5; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found with APoc: 1
This union binding pocket(no: 5) in the query (biounit: 5azc.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5LX9 OLB 4.66667
Pocket No.: 6; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found with APoc: 1
This union binding pocket(no: 6) in the query (biounit: 5azc.bio1) has 73 residues
No: Leader PDB Ligand Sequence Similarity
1 5LX9 OLB 4.66667
Pocket No.: 7; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found with APoc: 1
This union binding pocket(no: 7) in the query (biounit: 5azc.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5LX9 OLB 4.66667
Pocket No.: 8; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found with APoc: 1
This union binding pocket(no: 8) in the query (biounit: 5azc.bio1) has 66 residues
No: Leader PDB Ligand Sequence Similarity
1 5LX9 OLB 4.66667
Pocket No.: 9; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found with APoc: 1
This union binding pocket(no: 9) in the query (biounit: 5azc.bio1) has 74 residues
No: Leader PDB Ligand Sequence Similarity
1 5LX9 OLB 4.66667
Pocket No.: 10; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found with APoc: 3
This union binding pocket(no: 10) in the query (biounit: 5azc.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 1NU4 MLA None
3 1NU4 MLA None
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