Receptor
PDB id Resolution Class Description Source Keywords
5H5O 2.12 Å EC: 7.-.-.- A CYCLIC-GMP-DEPENDENT SIGNALLING PATHWAY REGULATES BACTERIA PHYTOPATHOGENESIS XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS B100) CYCLIC GMP XC0250 XC0249 SIGNALLING PATHWAY BIOSYNTHETIC
Ref.: A CYCLIC GMP-DEPENDENT SIGNALLING PATHWAY REGULATES BACTERIAL PHYTOPATHOGENESIS EMBO J. V. 32 2430 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PCG B:201;
A:201;
Valid;
Valid;
none;
none;
Kd = 0.293 uM
345.205 C10 H12 N5 O7 P c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5H5O 2.12 Å EC: 7.-.-.- A CYCLIC-GMP-DEPENDENT SIGNALLING PATHWAY REGULATES BACTERIA PHYTOPATHOGENESIS XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS B100) CYCLIC GMP XC0250 XC0249 SIGNALLING PATHWAY BIOSYNTHETIC
Ref.: A CYCLIC GMP-DEPENDENT SIGNALLING PATHWAY REGULATES BACTERIAL PHYTOPATHOGENESIS EMBO J. V. 32 2430 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5H5O Kd = 0.293 uM PCG C10 H12 N5 O7 P 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 217 families.
1 5H5O Kd = 0.293 uM PCG C10 H12 N5 O7 P 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 181 families.
1 5H5O Kd = 0.293 uM PCG C10 H12 N5 O7 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PCG; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 PCG 1 1
2 35G 1 1
3 C2E 1 0.986111
4 4BW 0.806818 0.986111
5 1YD 0.806818 0.986111
6 5GP 5GP 0.743902 0.945205
7 4UR 0.731959 0.986111
8 6SW 0.627907 0.957747
9 1YC 0.616162 0.958333
10 6J7 0.58427 0.946667
11 2BA 0.534091 0.902778
12 CMP 0.534091 0.888889
13 GMP 0.53012 0.84
14 1SY 0.495575 0.986111
15 SGP 0.483871 0.835443
16 6SZ 0.483871 0.902778
17 3GP 0.478261 0.932432
18 1OR 0.474747 0.729412
19 5GP 0.468085 0.945946
20 G 0.468085 0.945946
21 7CH 0.467391 0.875
22 6SX 0.462366 0.847222
23 6JR 0.457944 0.930556
24 G2R 0.457143 0.897436
25 GPX 0.451923 0.906667
26 GP3 0.44898 0.934211
27 2GP 0.446809 0.92
28 GDP BEF 0.445545 0.8625
29 GDP 0.444444 0.933333
30 GP2 0.444444 0.897436
31 GNH 0.44 0.921053
32 P2G 0.4375 0.893333
33 G2P 0.436893 0.897436
34 GDP MG 0.435644 0.884615
35 ALF 5GP 0.431373 0.851852
36 GTP 0.431373 0.933333
37 GMV 0.431373 0.909091
38 G1R 0.427184 0.921053
39 GCP 0.427184 0.909091
40 GNP 0.423077 0.909091
41 GSP 0.423077 0.886076
42 G3D 0.423077 0.945946
43 GDP AF3 0.420561 0.851852
44 BEF GDP 0.419048 0.851852
45 GTP MG 0.419048 0.884615
46 GCP G 0.415094 0.896104
47 G4P 0.415094 0.945946
48 GAV 0.415094 0.897436
49 P1G 0.414141 0.881579
50 Y9Z 0.410714 0.843373
51 G G 0.409091 0.921053
52 GDP ALF 0.407407 0.851852
53 N6R 0.40708 0.818182
54 N6S 0.40708 0.818182
55 G3A 0.403509 0.934211
56 YGP 0.401786 0.8875
57 G5P 0.4 0.934211
58 0O2 0.4 0.945946
59 GPG 0.4 0.922078
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5H5O; Ligand: PCG; Similar sites found: 42
This union binding pocket(no: 1) in the query (biounit: 5h5o.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5C8W PCG 0.0000274 0.49087 None
2 4BWL MN9 0.01786 0.40488 None
3 4RGQ 13P 0.01547 0.41351 2.32558
4 4RGQ 1GP 0.01716 0.4124 2.32558
5 4RGQ NDP 0.01606 0.40796 2.32558
6 3ZLR X0B 0.02466 0.40668 3.87597
7 3WG6 NDP 0.01509 0.40927 4.65116
8 2OQ2 A3P 0.007668 0.41285 5.42636
9 3EPO MP5 0.01144 0.40121 6.20155
10 2J5V PCA 0.007052 0.4263 6.26703
11 2R4J 13P 0.02298 0.42083 7.75194
12 2R4J FAD 0.02298 0.42083 7.75194
13 1WPQ NAD 0.01409 0.40371 7.75194
14 1YQC GLV 0.02968 0.40703 8.52713
15 4MOP 2H5 0.04567 0.40533 8.52713
16 4MIG G3F 0.0244 0.41729 12.4031
17 1QO8 FAD 0.04203 0.40045 13.1783
18 4Q86 AMP 0.009915 0.4019 19.3798
19 4CYD CMP 0.00001446 0.51368 20.9302
20 5BV6 35G 0.000009341 0.54305 21.7054
21 4OFG PCG 0.00004754 0.50895 27.907
22 3CF6 SP1 0.00000549 0.53204 30.2326
23 3OF1 CMP 0.000003143 0.57156 31.0078
24 3I59 N6S 0.000007977 0.54619 31.0078
25 3I59 N6R 0.00001401 0.53497 31.0078
26 3I54 CMP 0.00008022 0.49505 31.0078
27 1NE6 SP1 0.00004215 0.50772 31.7829
28 5K8S CMP 0.00001887 0.4995 31.7829
29 5KBF CMP 0.0001014 0.48771 31.7829
30 3PNA CMP 0.000001141 0.54737 32.5581
31 4KU7 PCG 0.00001386 0.53364 32.5581
32 5JAX 6J7 0.00001636 0.52635 32.5581
33 3SHR CMP 0.0001082 0.49889 32.5581
34 3OCP CMP 0.00008469 0.47574 32.5581
35 3LA3 2FT 0.001708 0.4094 34.8837
36 2XKO AKG 0.002007 0.44976 35.6589
37 4MUV PCG 0.00001703 0.52556 36.4341
38 4N9I PCG 0.0002672 0.51191 36.4341
39 3KCC CMP 0.0001118 0.49357 36.4341
40 1CX4 CMP 0.000009613 0.53972 37.2093
41 5KJZ PCG 0.00001676 0.52587 38.7597
42 4AVB CMP 0.0000986 0.49434 44.9612
Pocket No.: 2; Query (leader) PDB : 5H5O; Ligand: PCG; 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: 5h5o.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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