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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 4 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 4 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 3 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 with APoc: 65
This union binding pocket(no: 1) in the query (biounit: 2hfu.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 4V2O CLQ None
3 4WB7 ATP 0.903614
4 4B7S QLE 2.10843
5 2FLI DX5 2.27273
6 1UJ2 C5P 2.38095
7 1UJ2 ADP 2.38095
8 5KJU 6TO 2.40964
9 1GSA ADP 2.53165
10 1ZB6 DIN 2.60586
11 1ZB6 GST 2.60586
12 1BW9 PPY 2.71084
13 3ZDS OMD 2.71084
14 3WCA FPS 3.01205
15 3RE4 TO1 3.10078
16 3G58 988 3.31325
17 3ANP DCC 3.43137
18 5FAL COA 3.61446
19 5FAL SKT 3.61446
20 4HE2 AMP 3.61446
21 5L92 MLA 3.91566
22 1ZBQ NAD 3.97554
23 4IGH 1EA 4.21687
24 4IGH FMN 4.21687
25 4IGH ORO 4.21687
26 3LXK MI1 4.58716
27 1XG4 ICT 4.74576
28 3GON PMV 4.77612
29 3JRS A8S 4.80769
30 4XVX P6G FDA 4.81928
31 4XVX P33 FDA 4.81928
32 1Q0H FOM 4.81928
33 1Q0H NDP 4.81928
34 3GUZ PAF 5.11364
35 5E70 RCD 5.12048
36 2EV1 OLA 5.40541
37 5O22 C3R 5.53633
38 3KMZ EQO 5.6391
39 3WQQ NDP 5.72289
40 3WQQ IB3 5.72289
41 4KP7 1UQ 5.72289
42 4KP7 NAP 5.72289
43 6BXI ANP 5.72289
44 5UIU 8CG 5.88235
45 2B3D FAD 5.88235
46 1LRI CLR 6.12245
47 1E4I NFG 6.3253
48 2X3J X3J 6.3253
49 6D6L FY4 6.47059
50 2QE0 NAP 7.22892
51 3WFD AXO 7.22892
52 5GQX GLC GLC GLC 7.53012
53 1OJ4 CDM 8.12721
54 2V2V V12 8.85609
55 3H78 BE2 9.33735
56 1XVB BHL 10.8434
57 2AIB ERG 11.2245
58 3FS1 MYR 11.3043
59 1GQY ACP 12.0482
60 5XDT MB3 14.2857
61 5CIC 51R 14.8148
62 3V2U GLA 15.0602
63 2A2C NG1 15.6627
64 2A2C ADP 15.6627
65 4UTG ANP 31.2139
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