Receptor
PDB id Resolution Class Description Source Keywords
3MI3 2.38 Å EC: 2.3.3.14 HOMOCITRATE SYNTHASE LYS4 BOUND TO LYSINE SCHIZOSACCHAROMYCES POMBE TIM BARREL METALLOPROTEIN TRANSFERASE CLAISEN CONDENSATIOACID BIOSYNTHESIS LYSINE BIOSYNTHESIS
Ref.: STRUCTURAL BASIS FOR L-LYSINE FEEDBACK INHIBITION O HOMOCITRATE SYNTHASE J.BIOL.CHEM. V. 285 10446 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS A:1000;
B:1000;
Valid;
Valid;
none;
none;
Ki = 3.56 uM
147.195 C6 H15 N2 O2 C(CC[...
NA A:501;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
ZN A:500;
B:500;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MI3 2.38 Å EC: 2.3.3.14 HOMOCITRATE SYNTHASE LYS4 BOUND TO LYSINE SCHIZOSACCHAROMYCES POMBE TIM BARREL METALLOPROTEIN TRANSFERASE CLAISEN CONDENSATIOACID BIOSYNTHESIS LYSINE BIOSYNTHESIS
Ref.: STRUCTURAL BASIS FOR L-LYSINE FEEDBACK INHIBITION O HOMOCITRATE SYNTHASE J.BIOL.CHEM. V. 285 10446 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3MI3 Ki = 3.56 uM LYS C6 H15 N2 O2 C(CC[NH3+]....
70% 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 3MI3 Ki = 3.56 uM LYS C6 H15 N2 O2 C(CC[NH3+]....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZTK - HCA C7 H10 O7 C(C[C@@](C....
2 2ZYF - AKG C5 H6 O5 C(CC(=O)O)....
3 2ZTJ - AKG C5 H6 O5 C(CC(=O)O)....
4 3MI3 Ki = 3.56 uM LYS C6 H15 N2 O2 C(CC[NH3+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LYS; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS 1 1
2 LYN 0.612903 0.741935
3 DLY 0.59375 0.962963
4 API 0.586207 0.733333
5 DHH 0.575758 0.709677
6 NPI 0.558824 0.709677
7 ORN 0.53125 0.925926
8 M3L 0.527778 0.604651
9 NLE 0.515152 0.677419
10 6HN 0.513514 0.604651
11 MLY 0.513514 0.641026
12 MLZ 0.513514 0.764706
13 ALY 0.512821 0.742857
14 11C 0.5 0.677419
15 6CL 0.5 0.766667
16 UN1 0.5 0.677419
17 HRG 0.475 0.764706
18 ONH 0.472222 0.694444
19 EXY 0.463415 0.621622
20 NOT 0.463415 0.764706
21 26P 0.459459 0.617647
22 HSE 0.451613 0.6875
23 DAB 0.451613 0.827586
24 CIR 0.447368 0.694444
25 HCS 0.4375 0.758621
26 NVA 0.4375 0.666667
27 2NP 0.435897 0.611111
28 ARG 0.435897 0.764706
29 DAR 0.435897 0.764706
30 REZ 0.422222 0.621622
31 5CT 0.413043 0.742857
32 DGL 0.411765 0.645161
33 GGL 0.411765 0.645161
34 DGN 0.411765 0.636364
35 GLN 0.411765 0.636364
36 GLU 0.411765 0.645161
37 ILO 0.404762 0.714286
38 SHR 0.404255 0.8125
39 0TF 0.404255 0.722222
40 2RA 0.4 0.733333
41 ABA 0.4 0.62069
42 DSN 0.4 0.645161
43 SER 0.4 0.645161
44 DBB 0.4 0.62069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MI3; Ligand: LYS; Similar sites found: 21
This union binding pocket(no: 1) in the query (biounit: 3mi3.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LRT ADP 0.01371 0.42211 1.89125
2 1ZOA 140 0.03886 0.41092 2.12766
3 5LXC 7AA 0.01456 0.40874 2.69608
4 5V1B 8UY 0.007342 0.41153 2.91667
5 4B1L FRU 0.003695 0.42338 3.63636
6 3E7O 35F 0.04163 0.4041 4.72222
7 1REQ DCA 0.04557 0.41241 5.20095
8 4N02 FNR 0.02809 0.40575 5.60224
9 5BRP PNG 0.01058 0.40549 5.91017
10 1QY1 PRZ 0.009188 0.42637 6.32184
11 2IMP LAC 0.01045 0.4057 6.61939
12 3U6W KIV 0.000009811 0.55598 7.0922
13 1SR9 KIV 0.000009839 0.53565 7.0922
14 1RQH PYR 0.007974 0.40372 8.51064
15 4CRL C1I 0.04794 0.40185 9.12281
16 4JN6 OXL 0.000005129 0.57524 10.6936
17 1NVM OXL 0.0000007564 0.6217 13.0435
18 1X0P FAD 0.007454 0.42125 20.979
19 3O0G 3O0 0.01168 0.41357 22.1477
20 3BLI ACO 0.0006761 0.48653 43.6202
21 3BLI PYR 0.00009956 0.45959 43.6202
Pocket No.: 2; Query (leader) PDB : 3MI3; Ligand: LYS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3mi3.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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