Receptor
PDB id Resolution Class Description Source Keywords
4DE9 1.79 Å NON-ENZYME: TRANSCRIPT_TRANSLATE LYTR-CPS2A-PSR FAMILY PROTEIN YWTF (TAGT) WITH BOUND OCTAPRE PYROPHOSPHATE LIPID BACILLUS SUBTILIS POSSIBLE ROLE IN WALL TECHOIC ACID SYNTHESIS MEMBRANE PROTE
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
VTP A:401;
Valid;
none;
submit data
722.911 C40 H68 O7 P2 CC(=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6MPT 1.65 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TAGT BOUND TO LI-WTA BACILLUS SUBTILIS LYTR-CPS2A-PSR LCP COMPLEX TRANSFERASE
Ref.: SUBSTRATE PREFERENCES ESTABLISH THE ORDER OF CELL W ASSEMBLY IN STAPHYLOCOCCUS AUREUS. J. AM. CHEM. SOC. V. 140 2442 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 6MPT - C30 C38 H65 N O12 P2 CC(=CCC/C(....
2 4DE9 - VTP C40 H68 O7 P2 CC(=CCC/C(....
3 6MPS - JXD C46 H78 N2 O17 P2 CC(=CCC/C(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 6MPT - C30 C38 H65 N O12 P2 CC(=CCC/C(....
2 4DE9 - VTP C40 H68 O7 P2 CC(=CCC/C(....
3 6MPS - JXD C46 H78 N2 O17 P2 CC(=CCC/C(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 6MPT - C30 C38 H65 N O12 P2 CC(=CCC/C(....
2 4DE9 - VTP C40 H68 O7 P2 CC(=CCC/C(....
3 6MPS - JXD C46 H78 N2 O17 P2 CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VTP; Similar ligands found: 37
No: Ligand ECFP6 Tc MDL keys Tc
1 ZTP 1 1
2 OTP 1 1
3 VTP 1 1
4 FPP 1 0.975
5 GRG 1 0.975
6 GPP 0.911111 0.95
7 FJP 0.744681 0.9
8 0K3 0.744681 0.925
9 DSL 0.744681 0.925
10 FDF 0.727273 0.883721
11 FFF 0.714286 0.906977
12 HZZ 0.680851 0.875
13 FGG 0.590164 0.906977
14 FPF 0.57377 0.906977
15 2CF 0.57377 0.906977
16 10E 0.568627 0.6875
17 10D 0.568627 0.767442
18 DMA 0.5625 0.825
19 MGM 0.5625 0.75
20 A4S 0.558824 0.685185
21 3E9 0.555556 0.928571
22 FPS 0.551724 0.860465
23 GGS 0.551724 0.860465
24 H6P 0.54902 0.767442
25 FPQ 0.539683 0.808511
26 10G 0.538462 0.75
27 FII 0.507937 0.655172
28 GST 0.482759 0.837209
29 PS7 0.48 0.886364
30 C0X 0.477612 0.729167
31 FHP 0.473684 0.744186
32 1NH 0.457831 0.755102
33 LA6 0.442623 0.883721
34 0FV 0.442623 0.883721
35 749 0.428571 0.875
36 SZH 0.428571 0.644068
37 9GB 0.415094 0.804878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6MPT; Ligand: C30; 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: 6mpt.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
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