Receptor
PDB id Resolution Class Description Source Keywords
4DE8 1.95 Å NON-ENZYME: OTHER LYTR-CPS2A-PSR FAMILY PROTEIN WITH BOUND OCTAPRENYL MONOPHOS LIPID STREPTOCOCCUS PNEUMONIAE POSSIBLE WALL TECHOIC ACID SYNTHESIS MEMBRANE PROTEIN
Ref.: ATTACHMENT OF CAPSULAR POLYSACCHARIDE TO THE CELL W STREPTOCOCCUS PNEUMONIAE. MICROB DRUG RESIST V. 18 240 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0K3 A:501;
Valid;
none;
submit data
642.931 C40 H67 O4 P CC(=C...
PEG A:502;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XXP 1.69 Å NON-ENZYME: OTHER A WIDESPREAD FAMILY OF BACTERIAL CELL WALL ASSEMBLY PROTEINS STREPTOCOCCUS PNEUMONIAE REPLICATION PEPTIDOGLYCAN LCP LYTR
Ref.: A WIDESPREAD FAMILY OF BACTERIAL CELL WALL ASSEMBLY PROTEINS. EMBO J. V. 30 4931 2011
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3TEL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
2 4DE8 - 0K3 C40 H67 O4 P CC(=CCC/C(....
3 2XXP - DSL C50 H83 O4 P CC(=CCC/C(....
4 3TFL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
5 2XXQ - ZTP C40 H68 O7 P2 CC(=CCC/C(....
6 3TEP - ZTP C40 H68 O7 P2 CC(=CCC/C(....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3TEL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
2 4DE8 - 0K3 C40 H67 O4 P CC(=CCC/C(....
3 2XXP - DSL C50 H83 O4 P CC(=CCC/C(....
4 3TFL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
5 2XXQ - ZTP C40 H68 O7 P2 CC(=CCC/C(....
6 3TEP - ZTP C40 H68 O7 P2 CC(=CCC/C(....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3TEL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
2 4DE8 - 0K3 C40 H67 O4 P CC(=CCC/C(....
3 2XXP - DSL C50 H83 O4 P CC(=CCC/C(....
4 3TFL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
5 2XXQ - ZTP C40 H68 O7 P2 CC(=CCC/C(....
6 3TEP - ZTP C40 H68 O7 P2 CC(=CCC/C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 0K3; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 DSL 1 1
2 FJP 1 0.972973
3 0K3 1 1
4 HZZ 0.918919 0.945946
5 ZTP 0.744681 0.925
6 VTP 0.744681 0.925
7 FPP 0.744681 0.9
8 OTP 0.744681 0.925
9 GRG 0.744681 0.9
10 GPP 0.659574 0.875
11 FPQ 0.648148 0.782609
12 9GB 0.55814 0.868421
13 FII 0.553571 0.603448
14 FHP 0.55102 0.8
15 GGS 0.54717 0.790698
16 FPS 0.54717 0.790698
17 FFF 0.54386 0.837209
18 C0X 0.542373 0.702128
19 FDF 0.526316 0.813953
20 4LR 0.525 0.810811
21 FGG 0.508475 0.837209
22 749 0.5 0.8
23 ELU 0.491803 0.857143
24 ELR 0.491803 0.857143
25 2CF 0.491525 0.837209
26 FPF 0.491525 0.837209
27 MGM 0.483871 0.692308
28 3E9 0.47541 0.857143
29 GST 0.471698 0.767442
30 PS7 0.410959 0.818182
31 A4S 0.4 0.62963
Similar Ligands (3D)
Ligand no: 1; Ligand: 0K3; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XXP; Ligand: DSL; 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: 2xxp.bio1) has 65 residues
No: Leader PDB Ligand Sequence Similarity
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