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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 293 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 250 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 204 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: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 35G 1 1
2 C2E 1 0.986111
3 PCG 1 1
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 CMP 0.534091 0.888889
12 2BA 0.534091 0.902778
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 G 0.468085 0.945946
20 5GP 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 GP2 0.444444 0.897436
29 GDP 0.444444 0.933333
30 GNH 0.44 0.921053
31 P2G 0.4375 0.893333
32 G2P 0.436893 0.897436
33 GMV 0.431373 0.909091
34 GTP 0.431373 0.933333
35 ALF 5GP 0.431373 0.851852
36 G1R 0.427184 0.921053
37 GCP 0.427184 0.909091
38 G3D 0.423077 0.945946
39 9GM 0.423077 0.909091
40 GSP 0.423077 0.886076
41 GNP 0.423077 0.909091
42 GDP AF3 0.420561 0.851852
43 G4P 0.415094 0.945946
44 GAV 0.415094 0.897436
45 P1G 0.414141 0.881579
46 Y9Z 0.410714 0.843373
47 GCP G 0.409091 0.906667
48 GDP ALF 0.407407 0.851852
49 ALF GDP 0.407407 0.851852
50 N6R 0.40708 0.818182
51 N6S 0.40708 0.818182
52 G G 0.40708 0.934211
53 G3A 0.403509 0.934211
54 YGP 0.401786 0.8875
55 GPG 0.4 0.922078
56 G5P 0.4 0.934211
57 0O2 0.4 0.945946
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5H5O; Ligand: PCG; Similar sites found with APoc: 92
This union binding pocket(no: 1) in the query (biounit: 5h5o.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5C8W PCG None
2 4CS9 AMP None
3 1DCP HBI None
4 3KO0 TFP None
5 4BWL MN9 None
6 1P0Z FLC None
7 6E8I PTR 2.32558
8 3VV5 SLZ 2.32558
9 4RGQ 1GP 2.32558
10 4RGQ 13P 2.32558
11 4RGQ NDP 2.32558
12 2O66 FLC 2.32558
13 5A96 GTP 3.10078
14 5JNW 6LJ 3.10078
15 5HV7 RBL 3.10078
16 2V9M CIT 3.87597
17 3VSV XYS 3.87597
18 1YTV MAL 3.87597
19 4ARU TLA 3.87597
20 1U1J MET 3.87597
21 3ZLR X0B 3.87597
22 4QVH MAL 3.87597
23 3A06 NDP 3.87597
24 4I7E PEP 4.65116
25 3WG6 NDP 4.65116
26 2IF8 ADP 4.65116
27 3FSY SCA 5.42636
28 4LHD GLY 5.42636
29 5CDH TLA 5.42636
30 2OQ2 A3P 5.42636
31 5BJZ MAL 5.42636
32 1TZD ADP 6.20155
33 3K5I AIR 6.20155
34 3B12 FAH 6.20155
35 3EPO MP5 6.20155
36 4TWL ASC 6.20155
37 2J5V PCA 6.26703
38 1OFZ FUL 6.97674
39 1OFZ FUC 6.97674
40 1SQL GUN 6.97674
41 1RM0 NAI 6.97674
42 4NVP 7CH 7.75194
43 1WPQ 13P 7.75194
44 2R4J FAD 7.75194
45 2R4J 13P 7.75194
46 3I7V ATP 7.75194
47 1OC2 NAD 7.75194
48 1OC2 TDX 7.75194
49 1WPQ NAD 7.75194
50 1FFU CDP 7.75194
51 1Z0N BCD 8.33333
52 3ITJ CIT 8.52713
53 6C0B MLI 8.52713
54 1YQC GLV 8.52713
55 5F90 LMR 8.52713
56 6AC9 ANP 8.52713
57 4MOP 2H5 8.52713
58 4USI AKG 8.52713
59 5NXX 3Q7 10.0775
60 5LNW HG3 11.6279
61 1KJ8 GAR 12.4031
62 4MIG G3F 12.4031
63 1QO8 FAD 13.1783
64 2BMB PMM 14.7287
65 1RYI FAD 17.0543
66 4Q86 AMP 19.3798
67 4CYD CMP 20.9302
68 5BV6 35G 21.7054
69 2PTM CMP 27.1318
70 4OFG PCG 27.907
71 3CF6 SP1 30.2326
72 3OF1 CMP 31.0078
73 3I59 N6S 31.0078
74 3I59 N6R 31.0078
75 3I54 CMP 31.0078
76 1NE6 SP1 31.7829
77 5K8S CMP 31.7829
78 5KBF CMP 31.7829
79 3PNA CMP 32.5581
80 4KU7 PCG 32.5581
81 5JAX 6J7 32.5581
82 3OCP CMP 32.5581
83 3SHR CMP 32.5581
84 3LA3 2FT 34.8837
85 2XHK AKG 35.6589
86 2XKO AKG 35.6589
87 4MUV PCG 36.4341
88 4N9I PCG 36.4341
89 3KCC CMP 36.4341
90 1CX4 CMP 37.2093
91 5KJZ PCG 38.7597
92 4AVB CMP 44.9612
Pocket No.: 2; Query (leader) PDB : 5H5O; Ligand: PCG; Similar sites found with APoc: 27
This union binding pocket(no: 2) in the query (biounit: 5h5o.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4GLW 0XT 1.55039
2 3N26 ARG 2.32558
3 3V66 D3A 2.32558
4 2DC1 CIT 3.10078
5 1GTE FAD 3.10078
6 4JGT PYR 3.87597
7 3AXB PRO 3.87597
8 5EE7 5MV 4.65116
9 4A3R CIT 4.65116
10 3X01 AMP 4.65116
11 4OPC PGT 5.42636
12 6CEP NAD 5.42636
13 6CEP OXM 5.42636
14 9LDT NAD 5.42636
15 2PTZ PAH 6.20155
16 2WBV SIA 6.97674
17 1YNH SUO 7.75194
18 4CRL C1I 7.75194
19 5CKS GAL 9.30233
20 4U7W NDP 10.0775
21 1PU7 39A 11.6279
22 2AL2 PEP 12.4031
23 1FC4 AKB PLP 13.1783
24 3B8I OXL 13.9535
25 6HQD SRT 15.5039
26 2JDR L20 19.3798
27 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 19.3798
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