Receptor
PDB id Resolution Class Description Source Keywords
4FOU 2.1 Å NON-ENZYME: OTHER STRUCTURE OF THE PILZ-FIMX(EAL DOMAIN)-C-DI-GMP COMPLEX RESP FOR THE REGULATION OF BACTERIAL TYPE IV PILUS BIOGENESIS XANTHOMONAS AXONOPODIS PV. CITRI BACTERIAL TYPE 4 PILUS BIOGENESIS REGULATION PROTEIN BINDINMEMBRANE PROTEIN COMPLEX
Ref.: STRUCTURE OF THE PILZ-FIMXEAL-C-DI-GMP COMPLEX RESP FOR THE REGULATION OF BACTERIAL TYPE IV PILUS BIOGE J.MOL.BIOL. V. 425 2174 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:702;
B:705;
A:703;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
C2E A:701;
B:701;
Valid;
Valid;
none;
none;
submit data
690.411 C20 H24 N10 O14 P2 c1nc2...
GOL B:703;
B:702;
B:704;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FOU 2.1 Å NON-ENZYME: OTHER STRUCTURE OF THE PILZ-FIMX(EAL DOMAIN)-C-DI-GMP COMPLEX RESP FOR THE REGULATION OF BACTERIAL TYPE IV PILUS BIOGENESIS XANTHOMONAS AXONOPODIS PV. CITRI BACTERIAL TYPE 4 PILUS BIOGENESIS REGULATION PROTEIN BINDINMEMBRANE PROTEIN COMPLEX
Ref.: STRUCTURE OF THE PILZ-FIMXEAL-C-DI-GMP COMPLEX RESP FOR THE REGULATION OF BACTERIAL TYPE IV PILUS BIOGE J.MOL.BIOL. V. 425 2174 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4FOU - C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4FOU - C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4FOU - C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: C2E; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 PCG 1 0.986111
2 35G 1 0.986111
3 C2E 1 1
4 4BW 0.806818 1
5 1YD 0.806818 1
6 5GP 5GP 0.743902 0.958904
7 4UR 0.731959 1
8 6SW 0.627907 0.944444
9 1YC 0.616162 0.972222
10 6J7 0.58427 0.934211
11 2BA 0.534091 0.916667
12 CMP 0.534091 0.902778
13 GMP 0.53012 0.828947
14 1SY 0.495575 1
15 SGP 0.483871 0.825
16 6SZ 0.483871 0.916667
17 3GP 0.478261 0.92
18 1OR 0.474747 0.741176
19 5GP 0.468085 0.933333
20 G 0.468085 0.933333
21 7CH 0.467391 0.888889
22 6SX 0.462366 0.861111
23 6JR 0.457944 0.944444
24 G2R 0.457143 0.886076
25 GPX 0.451923 0.894737
26 GP3 0.44898 0.947368
27 2GP 0.446809 0.907895
28 GDP BEF 0.445545 0.851852
29 GDP 0.444444 0.921053
30 GP2 0.444444 0.886076
31 GNH 0.44 0.909091
32 P2G 0.4375 0.881579
33 G2P 0.436893 0.886076
34 GDP MG 0.435644 0.873418
35 ALF 5GP 0.431373 0.841463
36 GTP 0.431373 0.921053
37 GMV 0.431373 0.897436
38 G1R 0.427184 0.909091
39 GCP 0.427184 0.897436
40 GNP 0.423077 0.897436
41 GSP 0.423077 0.875
42 G3D 0.423077 0.933333
43 GDP AF3 0.420561 0.841463
44 BEF GDP 0.419048 0.841463
45 GTP MG 0.419048 0.873418
46 GCP G 0.415094 0.884615
47 G4P 0.415094 0.933333
48 GAV 0.415094 0.886076
49 P1G 0.414141 0.87013
50 Y9Z 0.410714 0.833333
51 G G 0.409091 0.934211
52 GDP ALF 0.407407 0.841463
53 N6R 0.40708 0.831169
54 N6S 0.40708 0.831169
55 G3A 0.403509 0.947368
56 YGP 0.401786 0.876543
57 G5P 0.4 0.947368
58 0O2 0.4 0.933333
59 GPG 0.4 0.935065
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4FOU; Ligand: C2E; Similar sites found: 12
This union binding pocket(no: 1) in the query (biounit: 4fou.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BVE 4VG 0.04575 0.4001 8.54701
2 1OFD AKG 0.004281 0.42926 9.09091
3 1OFD FMN 0.004991 0.42854 9.09091
4 3BW2 FMN 0.01081 0.4072 9.40171
5 1IIM TTP 0.02827 0.42098 12.8205
6 4LJ3 C2E 0.000001948 0.56335 33.3333
7 5MF5 C2E 0.0000003123 0.60083 38.2812
8 5MKG C2E 0.000001307 0.57339 38.5827
9 3PJU C2E 0.00000008937 0.62988 38.9558
10 3N3T C2E 0.00000008083 0.62406 39.0152
11 5M1T C2E 0.000000656 0.5866 39.0152
12 3HV8 C2E 0.00000009204 0.61286 48.1061
Pocket No.: 2; Query (leader) PDB : 4FOU; Ligand: C2E; Similar sites found: 20
This union binding pocket(no: 2) in the query (biounit: 4fou.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2B4Q NAP 0.02469 0.40355 3.4188
2 4BFW ZVW 0.02972 0.40789 4.2735
3 2CWH NDP 0.02634 0.40094 4.92424
4 5EW9 5VC 0.03643 0.4334 5.12821
5 2ZRU FMN 0.03345 0.40335 5.12821
6 3AFN NAP 0.01809 0.41376 5.81395
7 5GT9 NAP 0.0108 0.42262 6.83761
8 1T7Q 152 0.04336 0.40122 6.83761
9 1T7Q COA 0.04336 0.40122 6.83761
10 1TDF NAP 0.04354 0.41908 7.69231
11 3W9Z FMN 0.009351 0.40915 9.62733
12 4J7U NAP 0.04417 0.40249 11.3636
13 4J7U YTZ 0.04417 0.40249 11.3636
14 5HCY 60D 0.02169 0.41767 11.9658
15 2IV2 MGD 0.01633 0.4192 12.8205
16 5IUC SIA GAL A2G 0.004047 0.40451 12.8205
17 5FI4 5XV 0.01497 0.40615 13.6752
18 4U9U FAD 0.01688 0.40208 13.6752
19 1TMM HHR 0.03371 0.40219 20.5128
20 1TMM APC 0.03524 0.40219 20.5128
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