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Receptor
PDB id Resolution Class Description Source Keywords
2OI2 2.5 Å EC: 2.7.1.36 STREPTOCOCCUS PNEUMONIAE MEVALONATE KINASE IN COMPLEX WITH DIPHOSPHOMEVALONATE STREPTOCOCCUS PNEUMONIAE ENZYME-INHIBITOR COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE STREPTOCOCCUS PNEUMONIAE MEVALONATE KINASE IN COMPLEX WITH DIPHOSPHOMEVALONATE. PROTEIN SCI. V. 16 983 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DP6 A:300;
Valid;
none;
Kd = 500 nM
308.117 C6 H14 O10 P2 C[C@@...
MG A:400;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OI2 2.5 Å EC: 2.7.1.36 STREPTOCOCCUS PNEUMONIAE MEVALONATE KINASE IN COMPLEX WITH DIPHOSPHOMEVALONATE STREPTOCOCCUS PNEUMONIAE ENZYME-INHIBITOR COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE STREPTOCOCCUS PNEUMONIAE MEVALONATE KINASE IN COMPLEX WITH DIPHOSPHOMEVALONATE. PROTEIN SCI. V. 16 983 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 2OI2 Kd = 500 nM DP6 C6 H14 O10 P2 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 2OI2 Kd = 500 nM DP6 C6 H14 O10 P2 C[C@@](CCO....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 2X7I - CIT C6 H8 O7 C(C(=O)O)C....
2 2OI2 Kd = 500 nM DP6 C6 H14 O10 P2 C[C@@](CCO....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DP6; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 DP6 1 1
2 PMV 0.731707 1
3 BHI 0.644444 0.878049
4 FM0 0.58 0.853659
5 P23 0.422222 0.794872
6 1CO 0.422222 0.625
7 IPR 0.416667 0.8
8 0CJ 0.411765 0.85
9 IPE 0.408163 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OI2; Ligand: DP6; Similar sites found with APoc: 85
This union binding pocket(no: 1) in the query (biounit: 2oi2.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1TUK PGM None
2 3LF0 ATP None
3 1PTR PRB None
4 2J9L ATP None
5 5YW5 ADE 1.67598
6 5FPE 3TR 1.71233
7 5FPN KYD 1.71233
8 4FJU NAI 1.71233
9 4WCX MET 2.05479
10 4JEM C5P 2.35294
11 4NZ6 DLY 2.39726
12 4EN4 ATP 2.39726
13 4EN4 GT0 2.39726
14 4EN4 GT1 2.39726
15 4EDF UPG 2.39726
16 2QS8 MET 2.39726
17 1KEV NDP 2.39726
18 1V9N NDP 2.39726
19 4GA6 AMP 2.39726
20 4PJ3 ANP 2.73973
21 4DYG MES 2.86885
22 3CQL NAG 2.88066
23 4QVX 3CQ 2.99401
24 3WGT FAD 3.08219
25 6AMI TRP 3.08219
26 2JFZ DGL 3.13725
27 2JFZ 003 3.13725
28 1XKQ NDP 3.21429
29 3FSY SCA 3.31325
30 1ON3 DXX 3.42466
31 3AWJ COA 3.42466
32 2AQX ATP 3.46021
33 1PVS 7HP 3.5461
34 5M67 3D1 3.76712
35 5M67 NAD 3.76712
36 1VA6 P2S 3.76712
37 1VA6 ADP 3.76712
38 1GPM AMP 3.76712
39 2ZJ1 NAD 4.10959
40 2ZJ1 ARJ 4.10959
41 4RDN 6MD 4.19162
42 5K8P 6R8 4.45205
43 3O5N BR0 4.46429
44 4D5G TPP 4.79452
45 4D5G FAD 4.79452
46 1ZPD DPX 4.79452
47 2GTE VA 4.83871
48 1YKI FMN 5.06912
49 4Z0G 5GP 5.13699
50 2NXW TPP 5.13699
51 4K49 HFQ 5.14706
52 1HSL HIS 5.46218
53 3GON PMV 5.47945
54 2FHK MFN 5.47945
55 3FXU TSU 5.47945
56 2JDC CAO 5.47945
57 1II5 GLU 5.82192
58 1KRR ACO 5.91133
59 1EE0 CAA 6.16438
60 5LOF 70R 6.16438
61 1A8S PPI 6.22711
62 2V2V V12 6.27306
63 1Z2I NAD 6.84932
64 3ZLR X0B 6.96203
65 5UAV NDP 7.19178
66 3R35 4CO 7.28477
67 4WGF HX2 7.80488
68 2AJ4 GLA 7.87671
69 4K4D HFQ 8.0292
70 5H9I XAN 8.21918
71 4ZOH MCN 8.90411
72 3GUZ PAF 10.2273
73 5E70 RCD 10.6164
74 3ABA FLI 10.9589
75 4Z87 5GP 11.3014
76 2A2C NG1 11.9863
77 2A2C ADP 11.9863
78 5CIC 51R 13.3562
79 6AC9 ANP 13.3562
80 1PIE GLA 14.3836
81 3V2U GLA 14.726
82 1WUU GLA 15.411
83 4UTG ANP 17.6301
84 2VVM FAD 18.1507
85 2VVL FAD 18.1507
Pocket No.: 2; Query (leader) PDB : 2OI2; Ligand: DP6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2oi2.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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