Receptor
PDB id Resolution Class Description Source Keywords
3E79 1.9 Å NON-ENZYME: TRANSPORT STRUCTURE DETERMINATION OF THE CANCER-ASSOCIATED MYCOPLASMA HYORHINIS PROTEIN MH-P37 MYCOPLASMA HYORHINIS MYCOPLASMA P37 TPP CELL MEMBRANE LIPOPROTEIN MEMBRANE PALMITATE TRANSPORT TPP BINDING PROTEIN
Ref.: STRUCTURE DETERMINATION OF THE CANCER-ASSOCIATED MYCOPLASMA HYORHINIS PROTEIN MH-P37. ACTA CRYSTALLOGR.,SECT.D V. 64 1172 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:601;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CL A:602;
Invalid;
none;
submit data
35.453 Cl [Cl-]
I3C A:500;
A:501;
Invalid;
Invalid;
none;
none;
submit data
558.835 C8 H4 I3 N O4 c1(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 232 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 197 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 165 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 (2D)
Ligand no: 1; Ligand: TPP; Similar ligands found: 48
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 NDQ 0.769231 0.909091
6 TMV 0.769231 0.958333
7 2TP 0.725 0.932432
8 VNP 0.721519 0.958904
9 VIB 0.621622 0.75
10 PYI 0.581395 0.887324
11 HTL 0.566667 0.958904
12 TDW 0.566667 0.972222
13 AUJ 0.55914 0.921053
14 N1T 0.556818 0.985714
15 FTP 0.551724 0.835616
16 THV 0.548387 0.958904
17 TPW 0.546512 0.9
18 WWF 0.542553 0.933333
19 TD6 0.540816 0.921053
20 THY 0.536842 0.945946
21 TOG 0.536082 0.921053
22 TDL 0.53125 0.897436
23 THW 0.530612 0.958904
24 TD9 0.53 0.921053
25 TD8 0.53 0.921053
26 TDK 0.525773 0.921053
27 D7K 0.490566 0.909091
28 R1T 0.489362 0.887324
29 S1T 0.489362 0.887324
30 TPU 0.483146 0.842105
31 5SR 0.479167 0.945205
32 T6F 0.476636 0.897436
33 T5X 0.476636 0.897436
34 1U0 0.474227 0.84
35 8PA 0.459459 0.945946
36 8EO 0.457447 0.92
37 8FL 0.457447 0.894737
38 TZD 0.451613 0.883117
39 O2T 0.45098 0.909091
40 TDM 0.443299 0.894737
41 8EL 0.442105 0.894737
42 G8G 0.44086 0.805195
43 TDN 0.415842 0.871795
44 THD 0.411765 0.839506
45 8N9 0.411765 0.839506
46 MP5 0.407895 0.676056
47 TD7 0.40566 0.85
48 DPX 0.4 0.734177
Similar Ligands (3D)
Ligand no: 1; Ligand: TPP; Similar ligands found: 4
No: Ligand Similarity coefficient
1 8EF 0.9955
2 TP9 0.9752
3 HTD 0.9623
4 HE3 0.9027
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EKI; Ligand: TPP; 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: 3eki.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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