Receptor
PDB id Resolution Class Description Source Keywords
3EKI 1.6 Å NON-ENZYME: TRANSPORT STRUCTURAL INSIGHTS OF THE MYCOPLASMA HYORHINIS PROTEIN MH-P PUTATIVE THIAMINE PYROPHOSPHATE TRANSPORTER MYCOPLASMA HYORHINIS MYCOPLASMA P37 TPP CELL MEMBRANE LIPOPROTEIN MEMBRANE TRANSPORT TRANSPORT PROTEIN PALMITATE EXTRACYTOPLASMIC TBINDING LIPOPROTEIN CYPL TPP BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE EXTRACYTOPLASMIC THIAMINE-BINDING LIPOPROTEIN P37 OF MYCOPLASMA HYOR J.BACTERIOL. V. 191 2585 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BR A:603;
A:604;
A:605;
A:606;
A:607;
A:608;
A:609;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
79.904 Br [Br-]
CA A:601;
A:602;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GOL A:800;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TPP A:551;
Valid;
none;
submit data
425.314 C12 H19 N4 O7 P2 S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EKI 1.6 Å NON-ENZYME: TRANSPORT STRUCTURAL INSIGHTS OF THE MYCOPLASMA HYORHINIS PROTEIN MH-P PUTATIVE THIAMINE PYROPHOSPHATE TRANSPORTER MYCOPLASMA HYORHINIS MYCOPLASMA P37 TPP CELL MEMBRANE LIPOPROTEIN MEMBRANE TRANSPORT TRANSPORT PROTEIN PALMITATE EXTRACYTOPLASMIC TBINDING LIPOPROTEIN CYPL TPP BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE EXTRACYTOPLASMIC THIAMINE-BINDING LIPOPROTEIN P37 OF MYCOPLASMA HYOR J.BACTERIOL. V. 191 2585 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 3E79 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
2 3E78 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
3 3EKI - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3E79 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
2 3E78 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
3 3EKI - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 3E79 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
2 3E78 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
3 3EKI - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TPP; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 TPP 1 1
2 V4E 0.891892 1
3 TDP 0.84 0.985714
4 TPS 0.816901 0.957143
5 TMV 0.769231 0.958333
6 2TP 0.725 0.932432
7 VNP 0.721519 0.958904
8 VIB 0.621622 0.75
9 PYI 0.581395 0.887324
10 TDW 0.566667 0.972222
11 HTL 0.566667 0.958904
12 N1T 0.556818 0.985714
13 FTP 0.551724 0.835616
14 THV 0.548387 0.958904
15 TPW 0.546512 0.9
16 WWF 0.542553 0.933333
17 TD6 0.540816 0.921053
18 THY 0.536842 0.945946
19 TOG 0.536082 0.921053
20 TDL 0.53125 0.897436
21 THW 0.530612 0.958904
22 TD9 0.53 0.921053
23 TD8 0.53 0.921053
24 TDK 0.525773 0.921053
25 D7K 0.490566 0.909091
26 S1T 0.489362 0.887324
27 R1T 0.489362 0.887324
28 TPU 0.483146 0.842105
29 5SR 0.479167 0.945205
30 T5X 0.476636 0.897436
31 T6F 0.476636 0.897436
32 1U0 0.474227 0.84
33 8PA 0.459459 0.945946
34 TZD 0.451613 0.883117
35 O2T 0.45098 0.909091
36 TDM 0.443299 0.894737
37 TDN 0.415842 0.871795
38 THD 0.411765 0.839506
39 MP5 0.407895 0.676056
40 TD7 0.40566 0.85
41 DPX 0.4 0.734177
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EKI; Ligand: TPP; Similar sites found: 2
This union binding pocket(no: 1) in the query (biounit: 3eki.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.0152 0.43012 2.1978
2 4WCX ALA 0.01673 0.40413 2.72953
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