-->
Receptor
PDB id Resolution Class Description Source Keywords
3FJG 2.2 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF 3PG BOUND PEB3 CAMPYLOBACTER JEJUNI PEB3 3PG TRANSPORT PROTEIN
Ref.: SPECIFICITY OF CAMPYLOBACTER JEJUNI ADHESIN PEB3 FOR PHOSPHATES AND STRUCTURAL DIFFERENCES AMONG ITS LIGAND COMPLEXES. BIOCHEMISTRY V. 48 3057 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3PG A:301;
B:301;
C:301;
D:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 187 uM
186.057 C3 H7 O7 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FJG 2.2 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF 3PG BOUND PEB3 CAMPYLOBACTER JEJUNI PEB3 3PG TRANSPORT PROTEIN
Ref.: SPECIFICITY OF CAMPYLOBACTER JEJUNI ADHESIN PEB3 FOR PHOSPHATES AND STRUCTURAL DIFFERENCES AMONG ITS LIGAND COMPLEXES. BIOCHEMISTRY V. 48 3057 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 3FIR - FLC C6 H5 O7 C(C(=O)[O-....
2 3FJ7 - PEQ C3 H7 O6 P C[C@@H](C(....
3 3FJG Kd = 187 uM 3PG C3 H7 O7 P C([C@H](C(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 3FIR - FLC C6 H5 O7 C(C(=O)[O-....
2 3FJ7 - PEQ C3 H7 O6 P C[C@@H](C(....
3 3FJG Kd = 187 uM 3PG C3 H7 O7 P C([C@H](C(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 3FIR - FLC C6 H5 O7 C(C(=O)[O-....
2 3FJ7 - PEQ C3 H7 O6 P C[C@@H](C(....
3 3FJG Kd = 187 uM 3PG C3 H7 O7 P C([C@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3PG; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 3PG 1 1
2 DEZ 0.575758 0.941176
3 DER 0.575758 0.941176
4 SEP 0.515152 0.74359
5 4TP 0.5 0.780488
6 PA5 0.486486 0.941176
7 R10 0.486486 0.941176
8 DG2 0.485714 0.909091
9 LG6 0.461538 0.941176
10 6PG 0.461538 0.941176
11 HG3 0.451613 0.9375
12 1GP 0.4375 0.852941
13 G3P 0.4375 0.852941
14 PGA 0.433333 0.90625
15 DXP 0.432432 0.911765
16 GOS 0.424242 0.857143
17 M2P 0.424242 0.857143
18 G3H 0.411765 0.9375
19 5SP 0.410256 0.837838
20 D5X 0.410256 0.941176
21 HMS 0.410256 0.837838
22 5RP 0.410256 0.837838
23 0V5 0.40625 0.727273
24 PEQ 0.40625 0.727273
25 RUB 0.4 0.885714
26 XBP 0.4 0.885714
27 RES 0.4 0.659574
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FJG; Ligand: 3PG; Similar sites found with APoc: 140
This union binding pocket(no: 1) in the query (biounit: 3fjg.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5O0Z 9GB None
2 6BA2 7KM 1.59363
3 5E72 SAM 1.59363
4 5ZZO FLC 1.99005
5 1IYE PGU 1.99203
6 5B19 TLA 2.15517
7 1EK0 GNP 2.35294
8 4JNA FAD 2.39044
9 1UM0 FMN 2.39044
10 4XTX 590 2.39044
11 5EPO NAP 2.39044
12 2UZH CDP 2.42424
13 2A2C ADP 2.78884
14 2A2C NG1 2.78884
15 3HQP FDP 2.78884
16 3LCV SAM 2.78884
17 1T5B FMN 2.98507
18 5H5F SAM 2.99145
19 1TV5 FMN 3.18725
20 3OII SAH 3.18725
21 4TMZ GSP 3.18725
22 2Z9C DTC 3.5
23 2Z9C FMN 3.5
24 1R2Q GNP 3.52941
25 3OIG NAD 3.58566
26 3GGF GVD 3.58566
27 1AL8 DHP 3.58566
28 4IP7 FBP 3.58566
29 1V8B NAD 3.98406
30 1UPA TPP 3.98406
31 4R74 F6P 3.98406
32 1WAP TRP 4
33 4LHW GNP 4.02299
34 1V7C HEY 4.38247
35 1GKZ ADP 4.38247
36 1IBR GNP 4.62963
37 3QMN COA 4.65116
38 3QMN A3P 4.65116
39 1CS4 GSP 4.78088
40 5I0H ADP BEF 4.78088
41 2RGJ FAD 4.78088
42 3KLJ FAD 4.78088
43 3TYZ PAB 4.78088
44 6CUZ FEV 4.78088
45 5TE1 7A2 4.78088
46 1GSA GSH 4.78088
47 4MCC 21X 4.87805
48 5Z2L NDP 4.89796
49 4LX0 BEF GDP 5.08475
50 4AT0 FAD 5.17928
51 3AB1 FAD 5.57769
52 3I54 CMP 5.62249
53 5B3A 0JO 5.65553
54 5SZH GNP 5.91133
55 2QTR NXX 6.34921
56 2H29 DND 6.34921
57 2BTO GTP 6.48148
58 3RAB GNP 6.50888
59 3WYF GTP 6.72269
60 3F6R FMN 6.75676
61 1V35 NAI 6.77291
62 4NCN GTP 6.77291
63 5OBY ANP 6.77291
64 4PVR ASP 6.77291
65 4O48 ASP 6.77291
66 3NKV GNP 6.85714
67 2BME GNP 6.98925
68 3GJX GTP 7.17131
69 3TNF GNP 7.17131
70 3TKL GTP 7.17131
71 2DC1 NAD 7.20339
72 3M1I GTP 7.32984
73 1Z0K GTP 7.55814
74 3OJF IMJ 7.56972
75 3OJF NDP 7.56972
76 1VDC FAD 7.56972
77 1FEC FAD 7.56972
78 3HYK A3P 7.56972
79 2FWP CIT 7.65027
80 4MRT COA 7.77778
81 3QBT GNP 7.85714
82 4RSL FAD 7.96813
83 3RIY NAD 7.96813
84 1H5T DAU 7.96813
85 3T12 GDP ALF 8.08823
86 1QAW TRP 8.10811
87 4REP FAD 8.36653
88 6F97 FAD 8.36653
89 6FYZ EBE 8.36653
90 4B2D FBP 8.36653
91 3IID APR 8.53081
92 1GUA GNP 8.64198
93 4GXQ ATP 9.16335
94 2I7C AAT 9.16335
95 4FUT ATP 9.16335
96 3WXM GTP 9.56175
97 5VN0 FAD 9.96016
98 2GAG FAD 10.101
99 3E5H GNP 10.1124
100 1O94 AMP 10.3586
101 4QVX 3CQ 10.7784
102 2EW1 GNP 11.4428
103 4RJK TDL 11.5538
104 3N39 FMN 11.7647
105 2CDU FAD 11.9522
106 4D42 NAP 12.3506
107 4D42 W0I 12.3506
108 1BVY FMN 12.3506
109 1P0F NAP 13.1474
110 1Z0J GTP 13.5294
111 3ZZS TRP 13.8462
112 5M3E APR 13.9394
113 2ZKJ ADP 13.9442
114 2DYS PEK 16.3265
115 2DYR PEK 16.3265
116 5ZCO PEK 16.3265
117 5Z84 PEK 16.3265
118 1S7G NAD 16.3347
119 3EWP APR 17.5141
120 3MJH GTP 17.6471
121 1TU3 GNP 17.7215
122 5UWO GNP 18.8811
123 5UWT GNP 18.8811
124 5UWH GNP 18.8811
125 6CIT GNP 18.8811
126 5UWQ GNP 18.8811
127 5DHF GNP 18.8811
128 5UWU GNP 18.8811
129 5UWW GNP 18.8811
130 5UWR GNP 18.8811
131 5UWI GNP 18.8811
132 5UWJ GNP 18.8811
133 5DIF GNP 18.8811
134 4HAT GNP 19.2857
135 1YQD NAP 23.9044
136 3BC1 GNP 25.641
137 5LEF GTP 25.6544
138 2FFQ GSP 27.4854
139 2DX7 CIT 28.5088
140 1YZQ GNP 28.8235
Pocket No.: 2; Query (leader) PDB : 3FJG; Ligand: 3PG; Similar sites found with APoc: 51
This union binding pocket(no: 2) in the query (biounit: 3fjg.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1DL5 SAH 1.19522
2 3X1Z GNP 1.1976
3 2C78 GNP 1.59363
4 5E1M PRO PRO LYS ARG ILE ALA 1.65975
5 5E1M SAH 1.65975
6 1TMO 2MD 1.99203
7 2VBF TPP 1.99203
8 2VZZ SCA 2.29358
9 2X7J TPP 2.78884
10 2WKV COA 3.58566
11 2C6Q IMP 3.58566
12 5O96 SAM 3.67347
13 2Q4H AMP 3.98406
14 4NBW NAD 3.98406
15 6D5V GNP 3.98406
16 4HDO GNP 3.98406
17 5XFV FMN 4.38247
18 4M5P FMN 4.38247
19 3ITJ FAD 4.38247
20 3C3N FMN 4.38247
21 6AM8 PLT 4.78088
22 4OOP DUP 4.81928
23 5J6Y BGC 5.31915
24 5J6Y GLC 5.31915
25 4KCT FDP 5.57769
26 2CH5 NDG 5.57769
27 2CH5 NAG 5.57769
28 3WYG GTP 6.04396
29 1WA5 GTP 6.25
30 6FA4 GNP 6.35838
31 1Z08 GNP 6.47059
32 4AVB CMP 6.77291
33 2WYV NAD 7.17131
34 3SBD GNP 7.48663
35 4Z24 FAD 7.56972
36 5XDT MB3 7.96813
37 3LU1 NAD 7.96813
38 4CNK MEU 8.36653
39 2RCU BUJ 8.76494
40 4RYD 2UE ARG TBG ARG 00S 8.76494
41 3LF0 ATP 8.77193
42 4PU6 ASP 9.16031
43 1FQJ ALF 9.52381
44 1YZN GNP 10.2703
45 1P9P SAH 10.3448
46 2W83 GTP 10.3896
47 1Y0Y L2O VAL VAL ASP 10.757
48 5BV6 35G 11.8421
49 1PN0 FAD 14.3426
50 4X9M FAD 14.741
51 2Y8E GNP 26.257
Pocket No.: 3; Query (leader) PDB : 3FJG; Ligand: 3PG; Similar sites found with APoc: 51
This union binding pocket(no: 3) in the query (biounit: 3fjg.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4RGQ 13P 1.59363
2 1RYI FAD 1.99203
3 6B0K 9RN G4S 9RN G4S 1.99203
4 6B0K G4S 9RN G4S 9RN G4S 1.99203
5 2XTZ GSP 2.39044
6 1SVK ALF GDP 2.39044
7 1BH2 GSP 2.39044
8 5FJN FAD 2.39044
9 5FJN BE2 2.39044
10 3GD4 FAD 3.18725
11 6GAR FAD 3.18725
12 2X6T NAP 3.18725
13 4M52 M52 3.58566
14 5ESO ISC 3.98406
15 5ESO TDP 3.98406
16 1TAD GDP 3.98406
17 1TAD ALF 3.98406
18 1O3Y GTP 4.21687
19 1J2J GTP 4.21687
20 1SJN DUP 4.70588
21 5NM7 GLY 4.78088
22 2WKQ GTP 4.78088
23 5L2Z 70C 5.17928
24 2IVD FAD 5.17928
25 4ZAL 4LR 5.26316
26 4ZAL FNR 5.26316
27 2D7C GTP 5.38922
28 5N81 8Q2 5.57769
29 6EBQ FMN 5.625
30 3OND ADN 5.9761
31 3OND NAD 5.9761
32 3VMF GTP 5.9761
33 1KMQ GNP 5.97826
34 1TX4 ALF GDP 6.21469
35 4GK9 MAN BMA MAN MAN MAN 6.3745
36 2B99 RDL 7.05128
37 3ICS ADP 7.17131
38 6BCA GSP 7.28477
39 1V59 FAD 7.56972
40 3H4T UDP 7.56972
41 5WKC TP9 7.68095
42 2GAG NAD 10.101
43 2J59 GTP 10.119
44 5J60 FAD 10.3586
45 4RHE FMN 11.4833
46 3JVH HHV 12.5683
47 5I7A 68Q 14.3426
48 1C0I FAD 18.3267
49 1C0I BE2 18.3267
50 5UWP GNP 18.8811
51 5UWS GNP 18.8811
Pocket No.: 4; Query (leader) PDB : 3FJG; Ligand: 3PG; Similar sites found with APoc: 22
This union binding pocket(no: 4) in the query (biounit: 3fjg.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1RYI GOA 1.99203
2 3X0V FAD 1.99203
3 4IV9 FAD 1.99203
4 3LAD FAD 2.78884
5 3GD4 NAD 3.18725
6 1YVD GNP 3.5503
7 4BXK 1IU 3.58566
8 1YY5 FAD 3.98406
9 4YKG FAD 4.78088
10 2CWH PYC 4.78088
11 1JBW TMF 4.78088
12 4RKK GLC GLC GLC GLC GLC GLC 4.78088
13 2X0K PPV 5.17928
14 3S5W FAD 5.17928
15 5EXE 5SR 7.56972
16 2HQM FAD 8.76494
17 3NKS FAD 9.56175
18 5ODQ FAD 9.96016
19 3AD8 NAD 10.101
20 1O94 ADP 10.3586
21 2RAB FAD 15.1394
22 2F5Z FAD 17.1875
APoc FAQ
Feedback