Receptor
PDB id Resolution Class Description Source Keywords
6WT4 1.78 Å NON-ENZYME: OTHER STRUCTURE OF A BACTERIAL STING RECEPTOR FROM FLAVOBACTERIACE COMPLEX WITH 3',3'-CGAMP FLAVOBACTERIACEAE CBASS CYCLIC DINUCLEOTIDE RECEPTOR CD-NTASE IMMUNE EFFECTIMMUNE SYSTEM
Ref.: STING CYCLIC DINUCLEOTIDE SENSING ORIGINATED IN BAC NATURE V. 586 429 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:302;
B:301;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
4BW A:301;
 Valid;
 Atoms found MORE than expected: % Diff = 2;
 submit data
674.411 C20 H24 N10 O13 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6WT4 1.78 Å NON-ENZYME: OTHER STRUCTURE OF A BACTERIAL STING RECEPTOR FROM FLAVOBACTERIACE COMPLEX WITH 3',3'-CGAMP FLAVOBACTERIACEAE CBASS CYCLIC DINUCLEOTIDE RECEPTOR CD-NTASE IMMUNE EFFECTIMMUNE SYSTEM
Ref.: STING CYCLIC DINUCLEOTIDE SENSING ORIGINATED IN BAC NATURE V. 586 429 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6WT4 - 4BW C20 H24 N10 O13 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6WT4 - 4BW C20 H24 N10 O13 P2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6WT4 - 4BW C20 H24 N10 O13 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4BW; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 4BW 1 1
2 1YD 1 1
3 4UR 0.868687 1
4 C2E 0.806818 1
5 35G 0.806818 0.986111
6 PCG 0.806818 0.986111
7 1YC 0.752475 0.972222
8 CMP 0.727273 0.902778
9 2BA 0.727273 0.916667
10 1SY 0.646018 1
11 5GP 5GP 0.632653 0.958904
12 KT2 0.62931 1
13 RP1 0.580645 0.844156
14 SP1 0.580645 0.844156
15 G3A 0.53913 0.947368
16 G5P 0.534483 0.947368
17 6SW 0.524272 0.944444
18 1OR 0.509259 0.741176
19 6J7 0.490566 0.934211
20 APC G U 0.462687 0.909091
21 GMP 0.454545 0.828947
22 7CH 0.447619 0.888889
23 6SX 0.443396 0.861111
24 N6R 0.442623 0.831169
25 N6S 0.442623 0.831169
26 6SZ 0.435185 0.916667
27 SGP 0.435185 0.825
28 3GP 0.416667 0.92
29 G 0.409091 0.933333
30 5GP 0.409091 0.933333
31 6JR 0.406504 0.944444
32 75G 0.405405 0.8125
33 2GP 0.40367 0.907895
34 AF2 AF2 AF2 AF2 AF2 AF2 0.40367 0.792208
35 ACK 0.4 0.813333
Similar Ligands (3D)
Ligand no: 1; Ligand: 4BW; Similar ligands found: 1
No: Ligand Similarity coefficient
1 A G 0.8897
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6WT4; Ligand: 4BW; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6wt4.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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