Receptor
PDB id Resolution Class Description Source Keywords
6SCS 2.2 Å NON-ENZYME: CELL_CYCLE CELL DIVISION PROTEIN SEPF IN COMPLEX WITH C-TERMINAL DOMAIN CORYNEBACTERIUM GLUTAMICUM ATCC 13032 CELL DIVISION PROTEIN CELL CYCLE
Ref.: ESSENTIAL DYNAMIC INTERDEPENDENCE OF FTSZ AND SEPF Z-RING AND SEPTUM FORMATION IN CORYNEBACTERIUM GLUT NAT COMMUN V. 11 1641 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:201;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
ASP ASP LEU ASP VAL PRO SER PHE LEU GLN R:434;
Q:434;
S:435;
P:433;
 Valid;
Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.222;
Atoms found LESS than expected: % Diff = 0.222;
Atoms found LESS than expected: % Diff = 0.198;
none;
 submit data
887.001 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6SCS 2.2 Å NON-ENZYME: CELL_CYCLE CELL DIVISION PROTEIN SEPF IN COMPLEX WITH C-TERMINAL DOMAIN CORYNEBACTERIUM GLUTAMICUM ATCC 13032 CELL DIVISION PROTEIN CELL CYCLE
Ref.: ESSENTIAL DYNAMIC INTERDEPENDENCE OF FTSZ AND SEPF Z-RING AND SEPTUM FORMATION IN CORYNEBACTERIUM GLUT NAT COMMUN V. 11 1641 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 6SCS - ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 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 20 families.
1 6SCS - ASP ASP LEU ASP VAL PRO SER PHE LEU GLN n/a n/a
2 6SAT - ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 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 14 families.
1 6SCS - ASP ASP LEU ASP VAL PRO SER PHE LEU GLN n/a n/a
2 6SAT - ASP ASP LEU ASP VAL PRO SER PHE LEU GLN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASP ASP LEU ASP VAL PRO SER PHE LEU GLN; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 1 1
2 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.620438 0.9375
3 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.615385 0.820895
4 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.576642 0.953125
5 SER PRO ILE VAL PRO SER PHE ASP MET 0.561644 0.910448
6 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.552448 0.823529
7 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.540146 0.888889
8 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.538462 0.909091
9 ILE THR ASP GLN VAL PRO PHE SER VAL 0.516556 0.952381
10 ILE MET ASP GLN VAL PRO PHE SER VAL 0.512987 0.909091
11 TRP ASP ILE PRO PHE 0.512 0.854839
12 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.510791 0.835821
13 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.508333 0.852459
14 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.503356 0.890625
15 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.5 0.855072
16 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.49697 0.824324
17 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.480519 0.921875
18 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.478261 0.838235
19 LEU PRO SER PHE GLU THR ALA LEU 0.47651 0.967742
20 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.466258 0.842857
21 LEU SER PRO ASP SER PHE LEU ASN ASP 0.464912 0.655738
22 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.464516 0.77027
23 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.458904 0.9375
24 ARG SEP PRO VAL PHE SER 0.458065 0.767123
25 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.455128 0.662651
26 ASP LEU PRO PHE 0.454545 0.885246
27 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.454545 0.867647
28 GLY SER ASP PRO PHE LYS 0.453237 0.903226
29 ASN ASP TRP LEU LEU PRO SER TYR 0.451807 0.871429
30 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.451613 0.823529
31 TYR ASP LEU SEP LEU PRO PHE PRO 0.45 0.797297
32 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.448718 0.878788
33 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.448718 0.848485
34 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.448718 0.848485
35 LEU SER SER PRO VAL THR LYS SER PHE 0.448052 0.920635
36 PHE PRO THR LYS ASP VAL ALA LEU 0.44586 0.936508
37 ASN LEU VAL PRO SER VAL ALA THR VAL 0.444444 0.920635
38 SER PRO LEU ASP SER LEU TRP TRP ILE 0.443038 0.910448
39 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.442424 0.833333
40 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.440789 0.783784
41 ARG VAL SER PRO SER THR SER TYR THR PRO 0.439716 0.890625
42 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.439716 0.828125
43 ALA LEU ASP LEU PHE 0.439655 0.606557
44 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.439189 0.828125
45 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.438596 0.842857
46 LEU ASN PHE PRO ILE SER PRO 0.4375 0.953125
47 ALA THR PRO PHE GLN GLU 0.4375 0.870968
48 THR THR ALA PRO PHE LEU SER GLY LYS 0.4375 0.9375
49 SER SER GLY LYS VAL PRO LEU SER 0.43662 0.935484
50 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.435897 0.821918
51 LEU PRO PHE ASP LYS SER THR ILE MET 0.434524 0.882353
52 PHE GLU ASP ASN PHE VAL PRO 0.434483 0.890625
53 ALA PHE ARG ILE PRO LEU THR ARG 0.433962 0.828571
54 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.433526 0.695122
55 VAL MET ALA PRO ARG THR LEU PHE LEU 0.430303 0.77027
56 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.428571 0.823529
57 LYS PRO PHE PTR VAL ASN VAL NH2 0.427673 0.746667
58 PRO ALA PRO PHE ALA SER ALA 0.427586 0.888889
59 SER LEU PHE ASN THR ILE ALA VAL LEU 0.426667 0.6875
60 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.426667 0.712121
61 GLY ASP CYS PHE SER LYS PRO ARG 0.425926 0.811594
62 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.424837 0.854839
63 PHE SER HIS PRO GLN ASN THR 0.424051 0.865672
64 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.422619 0.855072
65 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.421687 0.884058
66 ACE GLY LYS SER PHE SER LYS PRO ARG 0.421053 0.90625
67 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.42069 0.818182
68 SER SER PHE TYR PRO SEP ALA GLU GLY 0.420382 0.767123
69 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.419162 0.84058
70 LEU PRO PHE ASP LYS THR THR ILE MET 0.418182 0.867647
71 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.416667 0.838235
72 GLU GLU ASN ASP PRO ASP TYR 0.416058 0.830769
73 SER THR SEP PRO THR PHE ASN LYS 0.415663 0.802817
74 SER SER GLY LYS VAL PRO LEU 0.415493 0.919355
75 VAL TYR ARG SER LEU SEP PHE GLU 0.415493 0.676471
76 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.415094 0.80597
77 GLU THR LEU GLU ASP SER VAL PHE 0.414634 0.704918
78 ASP PHE ALA ASN THR PHE LEU PRO 0.414474 0.907692
79 ILE SER PRO ARG THR LEU ASP ALA TRP 0.414365 0.835616
80 LEU PRO PHE ASP ARG THR THR ILE MET 0.414201 0.797297
81 HIS SER LEU PHE HIS PUK THR PRO 0.414201 0.882353
82 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.41358 0.855072
83 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.411765 0.893939
84 1IP CYS PHE SER LYS PRO ARG 0.411043 0.802817
85 LEU PHE GLY TYR PRO VAL TYR VAL 0.410256 0.848485
86 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.409091 0.771429
87 PRO ALA PRO PHE ALA ALA ALA 0.408451 0.793651
88 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.407895 0.774194
89 PRO GLN PHE SER LEU TRP LYS ARG 0.407643 0.80303
90 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.407407 0.820895
91 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.407186 0.816901
92 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.406593 0.785714
93 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.406061 0.867647
94 ALA PRO ALA TRP LEU PHE GLU ALA 0.406061 0.80597
95 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.405882 0.746667
96 MET LEU LEU SER VAL PRO LEU LEU LEU GLY 0.405594 0.861538
97 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.403509 0.76
98 GLY THR SER SER PRO SER ALA ASP 0.402878 0.887097
99 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.402685 0.80303
100 PHE SER ALA PTR PRO SER GLU GLU ASP 0.402597 0.767123
101 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.402597 0.656716
102 DHI PRO PHE HIS LEU LEU VAL TYR 0.402367 0.771429
103 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.401575 0.806452
104 GLU PHE SER PRO 0.401515 0.885246
105 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.401316 0.888889
106 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.4 0.794521
107 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.4 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP ASP LEU ASP VAL PRO SER PHE LEU GLN; 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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