Receptor
PDB id Resolution Class Description Source Keywords
4GYO 2.16 Å EC: 3.1.-.- CRYSTAL STRUCTURE OF RAP PROTEIN COMPLEXED WITH COMPETENCE A SPORULATION FACTOR BACILLUS SUBTILIS SUBSP. SUBTILIS TETRATRICOPEPTIDE REPEAT HYDROLASE
Ref.: CONFORMATIONAL CHANGE-INDUCED REPEAT DOMAIN EXPANSI REGULATES RAP PHOSPHATASE QUORUM-SENSING SIGNAL REC PLOS BIOL. V. 11 01512 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:401;
B:401;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
GLU ARG GLY MET THR D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
592.675 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GYO 2.16 Å EC: 3.1.-.- CRYSTAL STRUCTURE OF RAP PROTEIN COMPLEXED WITH COMPETENCE A SPORULATION FACTOR BACILLUS SUBTILIS SUBSP. SUBTILIS TETRATRICOPEPTIDE REPEAT HYDROLASE
Ref.: CONFORMATIONAL CHANGE-INDUCED REPEAT DOMAIN EXPANSI REGULATES RAP PHOSPHATASE QUORUM-SENSING SIGNAL REC PLOS BIOL. V. 11 01512 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 4GYO - GLU ARG GLY MET THR n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 4GYO - GLU ARG GLY MET THR n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 4GYO - GLU ARG GLY MET THR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLU ARG GLY MET THR; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU ARG GLY MET THR 1 1
2 ARG ARG GLY MET NH2 0.613636 0.851852
3 GLU ARG GLY SER GLY ARG 0.555556 0.77193
4 THR ILE MET MET GLN ARG GLY 0.518519 0.928571
5 ASN ARG LEU MET LEU THR GLY 0.509259 0.894737
6 ARG GLY THR 0.505618 0.884615
7 ARG ARG GLY LEU NH2 0.5 0.796296
8 ARG ARG GLY ILE NH2 0.494624 0.796296
9 ARG ARG GLY CYS NH2 0.494505 0.759259
10 GLN ARG ALA THR LYS MET NH2 0.491228 0.892857
11 GLU LEU ARG ARG LYS MET MET TYR MET 0.483607 0.806452
12 GLU ALA GLN THR ARG LEU 0.482143 0.854545
13 ARG ILE MET GLU NH2 0.480769 0.90566
14 SAC ARG GLY THR GLN THR GLU 0.477876 0.824561
15 MET ABA LEU ARG MET THR ALA VAL MET 0.475 0.877193
16 HIS MET THR GLU VAL VAL ARG HIS CYS 0.473684 0.761194
17 GLU LEU LYS ARG LYS MET ILE TYR MET 0.473282 0.806452
18 ARG ARG ALA THR LYS MET NH2 0.473214 0.859649
19 HIS MET THR GLU VAL VAL ARG ARG CYS 0.472868 0.772727
20 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.472 0.75
21 GLN ARG SER THR SEP THR 0.469027 0.730159
22 GLN ILE LYS VAL ARG VAL ASP MET VAL 0.467213 0.842105
23 ARG ARG ARG GLU THR GLN VAL 0.466667 0.807018
24 ALA ARG 9AT 0.465909 0.814815
25 MET CYS LEU ARG MET THR ALA VAL MET 0.463415 0.877193
26 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.45614 0.824561
27 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.443478 0.785714
28 ASN ARG LEU LEU LEU THR GLY 0.443396 0.824561
29 GLU LEU ASN ARG LYS MET ILE TYR MET 0.442857 0.769231
30 MET CYS LEU ARG NLE THR ALA VAL MET 0.440945 0.862069
31 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.440298 0.8
32 MET ALA ARG 0.4375 0.903846
33 ALA MET ARG VAL 0.434343 0.849057
34 GLU ALY ARG 0.432692 0.781818
35 ARG ARG ALA ALA 0.431579 0.792453
36 CYS LEU GLY GLY LEU LEU THR MET VAL 0.431034 0.789474
37 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.428571 0.738462
38 ARG GLU ALA ALA 0.428571 0.826923
39 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.426471 0.742857
40 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.425373 0.8
41 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.422414 0.910714
42 THR ARG ARG GLU THR GLN LEU 0.419643 0.824561
43 LEU GLU LYS ALA ARG GLY SER THR TYR 0.415493 0.738462
44 GLY ARG GLY ASP SER PRO 0.415094 0.814815
45 ALA ARG THR MLY GLN 0.414414 0.819672
46 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.411348 0.774194
47 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.41129 0.90566
48 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.411215 0.818182
49 MET CYS PRO ARG MET THR ALA VAL MET 0.410072 0.73913
50 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.409722 0.671429
51 ASP GLN GLY ARG GLY ARG ARG ARG PRO 0.406504 0.626866
52 ALA ARG MLY SER THR GLY GLY ALY 0.40625 0.809524
53 LYS ARG LYS 0.40625 0.740741
54 ACE ARG LYS VAL ARG MET 5XU 0.405941 0.849057
55 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.405229 0.75
56 GLU ALA THR GLN LEU MET ASN 0.405172 0.781818
57 VAL ARG MET 0.40404 0.830189
58 ALA MET ALA PRO ARG THR LEU LEU LEU 0.401515 0.73913
59 GLU THR VAL ARG PHE GLN SER ASP 0.401515 0.779661
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU ARG GLY MET THR; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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