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 = 0.686;
Atoms found LESS than expected: % Diff = 0.745;
Atoms found LESS than expected: % Diff = 0.824;
Atoms found LESS than expected: % Diff = 0.392;
Atoms found LESS than expected: % Diff = 0.647;
Atoms found LESS than expected: % Diff = 0.686;
Atoms found LESS than expected: % Diff = 0.353;
none;
Atoms found LESS than expected: % Diff = 0.647;
Atoms found LESS than expected: % Diff = 0.647;
submit data
751.023 C40 H79 O10 P CCCCC...
View in 3D viewer
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 6 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 5 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 4 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: 97
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 DR9 0.855072 0.977778
7 PGV 0.855072 0.977778
8 PGK 0.842857 0.93617
9 P6L 0.842857 0.977778
10 OZ2 0.830986 0.977778
11 DGG 0.808219 0.93617
12 CN3 0.771429 0.954545
13 PEH 0.746269 0.826923
14 PTY 0.746269 0.826923
15 PEF 0.746269 0.826923
16 PEV 0.746269 0.826923
17 8PE 0.746269 0.826923
18 CN6 0.742857 0.954545
19 P5S 0.73913 0.843137
20 PEE 0.735294 0.811321
21 9PE 0.735294 0.826923
22 LIO 0.714286 0.701754
23 HGP 0.714286 0.701754
24 PLD 0.714286 0.701754
25 6PL 0.714286 0.701754
26 HGX 0.714286 0.701754
27 PC7 0.714286 0.701754
28 7PH 0.703125 0.911111
29 LPP 0.703125 0.911111
30 3PH 0.703125 0.911111
31 6PH 0.703125 0.911111
32 7P9 0.692308 0.911111
33 PX2 0.692308 0.888889
34 AGA 0.666667 0.955556
35 XP5 0.661972 0.701754
36 LOP 0.657895 0.811321
37 L9Q 0.657895 0.811321
38 PII 0.648649 0.84
39 CDL 0.647887 0.866667
40 PD7 0.646154 0.911111
41 PSF 0.633803 0.843137
42 TGL 0.633333 0.659091
43 PCW 0.632911 0.689655
44 ZPE 0.620253 0.811321
45 PCK 0.617284 0.666667
46 M7U 0.616438 0.911111
47 PIF 0.61039 0.823529
48 P3A 0.609756 0.934783
49 PIZ 0.6 0.803922
50 GP7 0.595238 0.811321
51 L2C 0.59375 0.704545
52 DGA 0.59375 0.704545
53 DDR 0.59375 0.704545
54 44E 0.590909 0.911111
55 PEK 0.590361 0.811321
56 PIO 0.5875 0.823529
57 IP9 0.5875 0.803922
58 52N 0.5875 0.823529
59 PSC 0.581395 0.689655
60 B7N 0.578313 0.823529
61 3PE 0.565789 0.75
62 MC3 0.551282 0.660714
63 PC1 0.551282 0.660714
64 PCF 0.551282 0.660714
65 GYM 0.539683 0.727273
66 PDK 0.537634 0.716667
67 LBR 0.535211 0.652174
68 LP3 0.526316 0.736842
69 LPC 0.526316 0.736842
70 LAP 0.526316 0.736842
71 PGM 0.520548 0.933333
72 PIE 0.517241 0.769231
73 T7X 0.516484 0.823529
74 NKN 0.507246 0.911111
75 EPH 0.5 0.811321
76 2JT 0.5 0.666667
77 G2A 0.5 0.666667
78 L9R 0.494253 0.649123
79 S12 0.493976 0.807692
80 SQD 0.482759 0.640625
81 CN5 0.481013 0.933333
82 OLB 0.472222 0.711111
83 OLC 0.472222 0.711111
84 42H 0.470588 0.724138
85 DGD 0.467391 0.618182
86 1O2 0.456522 0.6
87 MVC 0.452055 0.711111
88 3TF 0.451613 0.6
89 NKP 0.448718 0.891304
90 PCJ 0.44186 0.607143
91 78N 0.438356 0.711111
92 78M 0.438356 0.711111
93 DLP 0.43617 0.649123
94 1L2 0.42 0.6
95 DB4 0.402439 0.764706
96 GGD 0.4 0.607143
97 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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5azc.bio1) has 71 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5azc.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5azc.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5azc.bio1) has 73 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5azc.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5azc.bio1) has 66 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found: 126
This union binding pocket(no: 9) in the query (biounit: 5azc.bio1) has 74 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VWA PTY 0.003507 0.50385 None
2 4I67 G G G RPC 0.03049 0.43416 None
3 1BWO LPC 0.02299 0.42457 None
4 3KO0 TFP 0.03218 0.42379 None
5 2BOS GLA GAL GLC NBU 0.04784 0.42298 None
6 2BOS GLA GAL GLC 0.0483 0.4228 None
7 3G58 988 0.005579 0.47534 0.666667
8 5CX6 CDP 0.03577 0.43961 1.33333
9 3B99 U51 0.03974 0.42427 1.33333
10 4OAR 2S0 0.04365 0.40781 1.55039
11 3M31 FAD 0.04065 0.40224 1.66667
12 4XB4 45D 0.03631 0.40689 1.97368
13 5CX8 TG6 0.02257 0.45526 2
14 4O6M C5P 0.00952 0.44725 2
15 1X87 NAD 0.04173 0.4017 2
16 1RL4 BL5 0.02377 0.45044 2.12766
17 5G5W R8C 0.03199 0.40065 2.14286
18 3RV5 DXC 0.0006904 0.4337 2.24719
19 1G2N EPH 0.04158 0.40177 2.27273
20 4RW3 PLM 0.03006 0.45175 2.33333
21 3OKI OKI 0.01893 0.42596 2.33333
22 1Y3A GDP 0.0239 0.41567 2.33333
23 1M21 PHE CSI LEU PHA 0.04438 0.41 2.33333
24 1M2Z BOG 0.01582 0.45605 2.33463
25 4ELG 52J 0.02908 0.40253 2.40964
26 4HBM 0Y7 0.04314 0.41915 2.5
27 1YYE 196 0.04615 0.41755 2.61194
28 2HHP FLC 0.002464 0.50018 2.66667
29 5DXE EST 0.03419 0.42462 2.68199
30 5HYR EST 0.03751 0.42244 2.71318
31 2QA8 GEN 0.04093 0.42039 2.71318
32 4MGD 27N 0.01523 0.44351 2.7451
33 4MGA 27L 0.03763 0.4426 2.7451
34 4TUZ 36J 0.04963 0.41892 2.7451
35 4TV1 36M 0.02868 0.4435 2.78884
36 3UUD EST 0.03473 0.42425 2.78884
37 4WT2 3UD 0.0155 0.4126 2.85714
38 4OIC A8S 0.02488 0.42883 2.89855
39 4J24 EST 0.03189 0.42956 2.91667
40 4J26 EST 0.04183 0.42305 2.91667
41 2YJD YJD 0.03649 0.42003 2.91667
42 1TV5 N8E 0.0001346 0.59221 3
43 2WDA L42 0.04901 0.42751 3
44 1LOX RS7 0.0496 0.41293 3
45 3W54 RNB 0.04978 0.41007 3
46 4IBF 1D5 0.005076 0.46899 3.10078
47 4OAS 2SW 0.04212 0.41971 3.125
48 5B4B LP5 0.02055 0.40509 3.22581
49 2WPX ACO 0.0132 0.43676 3.24484
50 1OLM VTQ 0.0301 0.40185 3.33333
51 1K7L 544 0.0123 0.42175 3.47222
52 3RDE OYP 0.02033 0.41905 3.4904
53 3SP6 IL2 0.04596 0.40922 3.50877
54 1YOK P6L 0.00756 0.41124 3.51562
55 5UC9 MYR 0.03322 0.44278 3.53982
56 4ZOM 4Q3 0.01151 0.44643 3.55556
57 2D2F ADP 0.04983 0.43145 3.6
58 4LA7 A1O 0.03113 0.40549 3.62694
59 1XX6 ADP 0.013 0.4636 3.66492
60 1J78 OLA 0.01422 0.46611 3.66667
61 5X20 AOT 0.04553 0.43284 3.66667
62 2NPA MMB 0.00797 0.44149 3.7037
63 1RDT 570 0.03453 0.40338 3.71901
64 1FBY REA 0.01906 0.41786 3.76569
65 5K52 OCD 0.0122 0.4325 3.77358
66 1FM9 9CR 0.02417 0.42067 3.78151
67 4DS8 A8S 0.01254 0.44802 3.82775
68 4US3 TRP 0.02261 0.4279 3.95604
69 5OCA 9QZ 0.00007218 0.61147 3.96825
70 3HP9 CF1 0.0238 0.45307 4
71 5IJJ I6P 0.01985 0.45602 4.16667
72 3TDC 0EU 0.003142 0.48906 4.33333
73 3L0E G58 0.004563 0.43864 4.33333
74 4C9G CXT 0.02083 0.42975 4.33333
75 5LX9 OLB 0.01446 0.44471 4.66667
76 5LX9 OLA 0.01305 0.44357 4.66667
77 3OGN 3OG 0.01305 0.44357 4.83871
78 3QKD HI0 0.04322 0.40322 4.97238
79 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.04571 0.43703 5.02092
80 5CHR 4NC 0.03812 0.43791 5.10949
81 3KFC 61X 0.0169 0.40673 5.13834
82 4QVX 3CQ 0.01181 0.43319 5.38922
83 3R9V DXC 0.02019 0.44874 5.59441
84 1GOT GDP 0.0191 0.42299 6
85 4PJT 2YQ 0.01841 0.41376 6
86 2CNT COA 0.0323 0.407 6.25
87 4KCF AKM 0.03768 0.40381 6.33333
88 1XVB 3BR 0.02824 0.43603 6.47059
89 5LWY OLB 0.01136 0.45032 6.54206
90 5LWY OLA 0.01471 0.43438 6.54206
91 4M52 M52 0.01544 0.43973 6.66667
92 1QY8 RDI 0.04765 0.41386 6.69145
93 2V57 PRL 0.04144 0.43608 6.84211
94 5UGW GSH 0.003525 0.52793 6.85714
95 4NB5 2JT 0.01456 0.43462 7.01754
96 3KDJ A8S 0.04516 0.40961 7.33333
97 1L6O SER LEU LYS LEU MET THR THR VAL 0.04371 0.41034 7.36842
98 1Q2C COA 0.009773 0.4343 7.40741
99 1XMY ROL 0.006728 0.47541 7.66667
100 1XMU ROF 0.01516 0.44362 7.66667
101 1XM4 PIL 0.02044 0.44017 7.66667
102 5FPN KYD 0.0251 0.41083 7.66667
103 1P1M MET 0.03021 0.41076 8
104 4UA3 COA 0.01524 0.43064 8.24742
105 3B6C SDN 0.0002112 0.56759 8.54701
106 5MWE TCE 0.008608 0.47407 8.57143
107 1I0B PEL 0.01779 0.45301 8.66667
108 5N8V KZZ 0.04948 0.42576 8.69565
109 2QV7 ADP 0.04441 0.41549 9
110 1CZA ADP 0.04421 0.43537 9.33333
111 2IBZ SMA 0.01385 0.42441 10.2362
112 4YSX E23 0.02323 0.44887 10.2564
113 3CX5 SMA 0.008272 0.4296 10.3175
114 3IX9 MTX 0.0427 0.4164 10.5263
115 5TVI MYR 0.04554 0.43778 10.8696
116 2ALG DAO 0.03317 0.41124 11.9565
117 2ALG HP6 0.03317 0.41124 11.9565
118 1XZ3 ICF 0.04201 0.44393 12.069
119 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.01186 0.41333 13.1313
120 5K53 STE 0.00496 0.45476 13.7405
121 5V4R MGT 0.0339 0.4488 14.1975
122 5KAU RHQ 0.01737 0.43074 16.9697
123 1FQJ GDP 0.0231 0.41638 19.0476
124 3N7S 3N7 0.01452 0.46783 20
125 3L9R L9Q 0.01526 0.40272 24.4898
126 3B1M KRC 0.03455 0.41037 36.8421
Pocket No.: 10; Query (leader) PDB : 5AZC; Ligand: PGT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 5azc.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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