Receptor
PDB id Resolution Class Description Source Keywords
2HFU 2 Å EC: 2.7.1.36 CRYSTAL STRUCTURE OF L. MAJOR MEVALONATE KINASE IN COMPLEX WITH R-MEVALONATE LEISHMANIA MAJOR GHMP KINASE MEVALONATE KINASE TRYPANOSOMATID PARASITE TRANSFERASE
Ref.: STRUCTURE, SUBSTRATE RECOGNITION AND REACTIVITY OF LEISHMANIA MAJOR MEVALONATE KINASE. BMC STRUCT.BIOL. V. 7 20 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MEV A:400;
Valid;
none;
submit data
147.149 C6 H11 O4 C[C@@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HFU 2 Å EC: 2.7.1.36 CRYSTAL STRUCTURE OF L. MAJOR MEVALONATE KINASE IN COMPLEX WITH R-MEVALONATE LEISHMANIA MAJOR GHMP KINASE MEVALONATE KINASE TRYPANOSOMATID PARASITE TRANSFERASE
Ref.: STRUCTURE, SUBSTRATE RECOGNITION AND REACTIVITY OF LEISHMANIA MAJOR MEVALONATE KINASE. BMC STRUCT.BIOL. V. 7 20 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2HFU - MEV C6 H11 O4 C[C@@](CCO....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2HFU - MEV C6 H11 O4 C[C@@](CCO....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2HFU - MEV C6 H11 O4 C[C@@](CCO....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MEV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MEV 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HFU; Ligand: MEV; Similar sites found: 45
This union binding pocket(no: 1) in the query (biounit: 2hfu.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4B7S QLE 0.03075 0.40926 2.10843
2 2FLI DX5 0.02821 0.4031 2.27273
3 1UJ2 C5P 0.03592 0.40273 2.38095
4 5KJU 6TO 0.01673 0.41171 2.40964
5 1GSA ADP 0.01826 0.41432 2.53165
6 1ZB6 GST 0.03954 0.40349 2.60586
7 1ZB6 DIN 0.03759 0.40349 2.60586
8 1BW9 PPY 0.01365 0.40992 2.71084
9 3ZDS OMD 0.0158 0.40016 2.71084
10 3WCA FPS 0.02 0.42054 3.01205
11 3RE4 TO1 0.009273 0.4212 3.10078
12 3G58 988 0.02342 0.40275 3.31325
13 3ANP DCC 0.0205 0.41287 3.43137
14 5L92 MLA 0.02425 0.40911 3.91566
15 1ZBQ NAD 0.04341 0.40545 3.97554
16 4IGH ORO 0.04168 0.42827 4.21687
17 4IGH 1EA 0.04168 0.42827 4.21687
18 4IGH FMN 0.04168 0.42827 4.21687
19 3LXK MI1 0.01766 0.42038 4.58716
20 1XG4 ICT 0.01802 0.40953 4.74576
21 3GON PMV 0.00001174 0.55272 4.77612
22 3JRS A8S 0.01188 0.41535 4.80769
23 4XVX P6G FDA 0.01479 0.43326 4.81928
24 4XVX P33 FDA 0.02494 0.42178 4.81928
25 1Q0H NDP 0.04246 0.4179 4.81928
26 1Q0H FOM 0.03998 0.4179 4.81928
27 2EV1 OLA 0.02832 0.40464 5.40541
28 3WQQ NDP 0.02323 0.42876 5.72289
29 3WQQ IB3 0.02323 0.42876 5.72289
30 4KP7 1UQ 0.03117 0.42311 5.72289
31 4KP7 NAP 0.04239 0.41844 5.72289
32 5UIU 8CG 0.01445 0.42798 5.88235
33 1LRI CLR 0.01778 0.41696 6.12245
34 2X3J X3J 0.0299 0.4079 6.3253
35 3IX8 TX3 0.03627 0.40068 6.35838
36 2QE0 NAP 0.04807 0.41059 7.22892
37 1OJ4 CDM 0.0000945 0.52216 8.12721
38 2V2V V12 0.0007715 0.51051 8.85609
39 3H78 BE2 0.04355 0.40216 9.33735
40 2AIB ERG 0.02186 0.4151 11.2245
41 3FS1 MYR 0.01766 0.40505 11.3043
42 1GQY ACP 0.01849 0.4068 12.0482
43 5XDT MB3 0.04446 0.40617 14.2857
44 3V2U GLA 0.01827 0.4001 15.0602
45 2A2C ADP 0.04372 0.41132 15.6627
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