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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 1443 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 1205 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 1039 families.
1 4FOU - C2E C20 H24 N10 O14 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: C2E; Similar ligands found: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 35G 1 0.986111
2 C2E 1 1
3 PCG 1 0.986111
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 CMP 0.534091 0.902778
12 2BA 0.534091 0.916667
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 G 0.468085 0.933333
20 5GP 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 GP2 0.444444 0.886076
29 GDP 0.444444 0.921053
30 GNH 0.44 0.909091
31 P2G 0.4375 0.881579
32 G2P 0.436893 0.886076
33 GMV 0.431373 0.897436
34 GTP 0.431373 0.921053
35 ALF 5GP 0.431373 0.841463
36 G1R 0.427184 0.909091
37 GCP 0.427184 0.897436
38 G3D 0.423077 0.933333
39 9GM 0.423077 0.897436
40 GSP 0.423077 0.875
41 GNP 0.423077 0.897436
42 GDP AF3 0.420561 0.841463
43 G4P 0.415094 0.933333
44 GAV 0.415094 0.886076
45 P1G 0.414141 0.87013
46 Y9Z 0.410714 0.833333
47 GCP G 0.409091 0.894737
48 GDP ALF 0.407407 0.841463
49 ALF GDP 0.407407 0.841463
50 N6R 0.40708 0.831169
51 N6S 0.40708 0.831169
52 G G 0.40708 0.947368
53 G3A 0.403509 0.947368
54 YGP 0.401786 0.876543
55 GPG 0.4 0.935065
56 G5P 0.4 0.947368
57 0O2 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4FOU; Ligand: C2E; Similar sites found with APoc: 51
This union binding pocket(no: 1) in the query (biounit: 4fou.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6CHP F0Y 1.7094
2 4JCA CIT 3.59281
3 1PVC ILE SER GLU VAL 5.12821
4 1MJT ITU 5.98291
5 4PXE GLV 5.98291
6 1SDW IYT 5.98291
7 5C9P FUC 7.69231
8 3HRD NIO 7.69231
9 5HVJ ANP 7.69231
10 4YRY FAD 7.69231
11 5T52 NGA 8.26446
12 5T52 A2G 8.26446
13 3ZXE PGZ 8.27068
14 3BMN AX3 8.33333
15 3QDV NDG 8.39161
16 3QDX CBS 8.39161
17 3QDY CBS 8.39161
18 3QDW NDG 8.39161
19 3QDU CBS CBS 8.39161
20 4JGP PYR 8.54701
21 2I6U NVA 8.54701
22 2C6Q NDP 8.54701
23 1KKR 2AS 8.71212
24 1OFD AKG 9.09091
25 1OFD FMN 9.09091
26 3BW2 FMN 9.40171
27 1XF1 CIT 9.40171
28 3UEC ALA ARG TPO LYS 11.6438
29 3LE7 ADE 11.8774
30 1TUK PGM 11.9403
31 5AHO TLA 11.9658
32 2ZV2 609 11.9658
33 5IUC SIA GAL A2G 12.8205
34 6BKA FMN 12.8205
35 1RGE 2GP 14.5833
36 1JH7 UVC 14.8148
37 6GNO XDI 15.3846
38 2Y91 98J 16.2393
39 5T63 ALA ALA ALA ALA 16.2393
40 3RS8 ALA TRP LEU PHE GLU ALA 20.8333
41 6F5W KG1 21.9697
42 5VKM GAL SIA 23.0769
43 3G2Y GF4 24.7863
44 3SJK LYS PRO VAL LEU ARG THR ALA 29.4737
45 4LJ3 C2E 33.3333
46 5MF5 C2E 38.2812
47 5MKG C2E 38.5827
48 3PJU C2E 38.9558
49 3N3T C2E 39.0152
50 5M1T C2E 39.0152
51 3HV8 C2E 48.1061
Pocket No.: 2; Query (leader) PDB : 4FOU; Ligand: C2E; Similar sites found with APoc: 26
This union binding pocket(no: 2) in the query (biounit: 4fou.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5WHT SIA None
2 4XZ9 G3P 2.24215
3 4BFW ZVW 4.2735
4 2CWH NDP 4.92424
5 4M3P HCS 5.12821
6 2ZRU FMN 5.12821
7 3AFN NAP 5.81395
8 6C1S EFV 6.43939
9 5GT9 NAP 6.83761
10 1T7Q COA 6.83761
11 1T7Q 152 6.83761
12 1TDF NAP 7.69231
13 3KRB NAP 8.54701
14 3W9Z FMN 9.62733
15 2GZ3 NAP 10.2564
16 2ZWS PLM 11.1111
17 4J7U YTZ 11.3636
18 4J7U NAP 11.3636
19 4RHS SIA SIA GAL 11.4754
20 5HCY 60D 11.9658
21 2IV2 MGD 12.8205
22 5A04 BGC 13.6752
23 5FI4 5XV 13.6752
24 4U9U FAD 13.6752
25 3TN7 NJP 14.5299
26 1TMM HHR 20.5128
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