Receptor
PDB id Resolution Class Description Source Keywords
2Q8Y 2 Å EC: 4.2.-.- STRUCTURAL INSIGHT INTO THE ENZYMATIC MECHANISM OF THE PHOPH LYASE SALMONELLA ENTERITIDIS ALPHA/BETA FOLD LYASE-TRANSFERASE COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO THE ENZYMATIC MECHANISM OF PATHOGENIC MAPK PHOSPHOTHREONINE LYASE MOL.CELL V. 28 899 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLN TYR PHE MET TPO GLU PTR VAL ALA B:215;
Valid;
none;
Kd = 102 uM
1249.15 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Q8Y 2 Å EC: 4.2.-.- STRUCTURAL INSIGHT INTO THE ENZYMATIC MECHANISM OF THE PHOPH LYASE SALMONELLA ENTERITIDIS ALPHA/BETA FOLD LYASE-TRANSFERASE COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO THE ENZYMATIC MECHANISM OF PATHOGENIC MAPK PHOSPHOTHREONINE LYASE MOL.CELL V. 28 899 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Z8P - GLY GLU ALA TPO VAL PTR ALA n/a n/a
2 2Q8Y Kd = 102 uM GLN TYR PHE MET TPO GLU PTR VAL ALA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Z8P - GLY GLU ALA TPO VAL PTR ALA n/a n/a
2 2Q8Y Kd = 102 uM GLN TYR PHE MET TPO GLU PTR VAL ALA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Z8P - GLY GLU ALA TPO VAL PTR ALA n/a n/a
2 2Q8Y Kd = 102 uM GLN TYR PHE MET TPO GLU PTR VAL ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLN TYR PHE MET TPO GLU PTR VAL ALA; Similar ligands found: 71
No: Ligand ECFP6 Tc MDL keys Tc
1 GLN TYR PHE MET TPO GLU PTR VAL ALA 1 1
2 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.497041 0.726027
3 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.488636 0.733333
4 GLN SER TYR TPO VAL 0.478571 0.794118
5 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.474286 0.714286
6 GLU LEU LYS TPO GLU ARG TYR 0.471338 0.780822
7 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.471264 0.74026
8 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.467949 0.701493
9 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.462963 0.753623
10 TYR ALA GLY SEP TPO ASP GLU ASN 0.460606 0.838235
11 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.452381 0.708333
12 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.45098 0.727273
13 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.449102 0.736111
14 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.443038 0.746269
15 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.436364 0.811594
16 THR TYR LYS PHE PHE GLU GLN 0.435374 0.691176
17 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.435374 0.691176
18 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.434524 0.712329
19 GLU GLN TYR LYS PHE TYR SER VAL 0.434211 0.7
20 ASP PHE GLU ASP TYR GLU PHE ASP 0.433566 0.661538
21 LEU GLU PHE GLN GLY 0.432624 0.636364
22 VAL GLN GLN GLU SER SER PHE VAL MET 0.430464 0.705882
23 LEU ASP GLU PTR VAL ALA THR ARG 0.429577 0.742424
24 THR ASN GLU PHE TYR ALA 0.428571 0.686567
25 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.425 0.731343
26 GLY GLU ALA TPO VAL PTR ALA 0.424837 0.80303
27 ALA GLU THR PHE TYR VAL ASP GLY 0.423841 0.671642
28 GLU LEU ARG ARG LYS MET MET TYR MET 0.423077 0.712329
29 GLU ASN GLN LYS GLU TYR PHE PHE 0.422819 0.661765
30 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.421622 0.746835
31 THR ASN GLU PHE TYR PHE 0.421429 0.636364
32 THR TYR PHE ALA VAL LEU MET VAL SER 0.420732 0.720588
33 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.420382 0.746269
34 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.41875 0.705882
35 GLU THR VAL ARG PHE GLN SER ASP 0.418182 0.630137
36 TYR GLY GLY PHE MET 0.417808 0.757576
37 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.417647 0.697368
38 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.416667 0.686567
39 GLU ASN LEU TYR PHE GLN 0.416107 0.676471
40 GLU LEU LYS ARG LYS MET ILE TYR MET 0.415663 0.689189
41 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.415663 0.680556
42 LEU THR GLU PTR VAL ALA THR ARG 0.415493 0.761194
43 SEP GLN GLU PTR 0.415493 0.772727
44 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.414365 0.675325
45 SER ASP PTR MET ASN MET THR PRO 0.414201 0.794872
46 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.413408 0.641026
47 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.413174 0.680556
48 PHE TYR ARG ALA LEU MET 0.4125 0.732394
49 MET LEU ILE TYR SER MET TRP GLY LYS 0.412088 0.701299
50 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.411111 0.708861
51 ASN LYS PTR GLY ASN CA 0.410596 0.746479
52 LYS MET ASN THR GLN PHE THR ALA VAL 0.408537 0.7
53 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.406897 0.656716
54 GLU THR PHE TYR VAL ASP GLY 0.406452 0.731343
55 SER HIS PHE ASN GLU TYR GLU 0.406061 0.626667
56 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.406061 0.695652
57 SER PTR VAL ASN VAL GLN ASN 0.405229 0.782609
58 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.404908 0.638889
59 LYS ALA LEU TYR ASN PHE ALA THR MET 0.404762 0.782609
60 ALA TYR ASP GLU SEP TPO ASP GLU GLU 0.402516 0.787879
61 ARG VAL LEU PHE GLU ALA MET 0.402439 0.630137
62 GLU LEU ASN ARG LYS MET ILE TYR MET 0.402299 0.684211
63 PHE SER GLN HIS LYS THR SER TPO ILE 0.402235 0.714286
64 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.402174 0.678571
65 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.401274 0.735294
66 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.401198 0.710145
67 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.40113 0.702703
68 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.4 0.651515
69 TYR SER THR CYS TYR PHE ILE MET 0.4 0.735294
70 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.4 0.671053
71 GLU VAL PTR GLU SER PRO 0.4 0.727273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Q8Y; Ligand: GLN TYR PHE MET TPO GLU PTR VAL ALA; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 2q8y.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.004446 0.42525 None
2 3SAO NKN 0.01352 0.40364 1.875
3 5KTQ DCP 0.01574 0.43279 2.90456
4 3VV1 GAL FUC 0.009273 0.40554 3.75
5 1I7E IBS 0.009681 0.42142 4.14938
6 3ZXE PGZ 0.02104 0.40508 4.51128
7 2NLR BGC BGC G2F SHG 0.005239 0.41484 5.12821
8 4FFG LBS 0.003885 0.41995 5.39419
9 5LUN OGA 0.02296 0.40063 7.05394
10 5KOD IAC 0.01487 0.42262 9.95851
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