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Receptor
PDB id Resolution Class Description Source Keywords
2W24 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE M. TUBERCULOSIS RV3291C COMPLEXED TO LYSINE MYCOBACTERIUM TUBERCULOSIS RV3291C DNA-BINDING TRANSCRIPTION LYSINE COMPLEX TRANSCRIPTION REGULATOR TRANSCRIPTION REGULATION
Ref.: LIGAND-INDUCED STRUCTURAL TRANSITIONS, MUTATIONAL ANALYSIS, AND 'OPEN' QUATERNARY STRUCTURE OF THE M. TUBERCULOSIS FEAST/FAMINE REGULATORY PROTEIN (RV3291C). J.MOL.BIOL. V. 392 1007 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS A:1151;
Valid;
none;
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147.195 C6 H15 N2 O2 C(CC[...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2W24 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE M. TUBERCULOSIS RV3291C COMPLEXED TO LYSINE MYCOBACTERIUM TUBERCULOSIS RV3291C DNA-BINDING TRANSCRIPTION LYSINE COMPLEX TRANSCRIPTION REGULATOR TRANSCRIPTION REGULATION
Ref.: LIGAND-INDUCED STRUCTURAL TRANSITIONS, MUTATIONAL ANALYSIS, AND 'OPEN' QUATERNARY STRUCTURE OF THE M. TUBERCULOSIS FEAST/FAMINE REGULATORY PROTEIN (RV3291C). J.MOL.BIOL. V. 392 1007 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 2W24 - 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 247 families.
1 2W24 - LYS C6 H15 N2 O2 C(CC[NH3+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2W24 - 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 MLZ 0.513514 0.764706
11 6HN 0.513514 0.604651
12 MLY 0.513514 0.641026
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 NOT 0.463415 0.764706
20 EXY 0.463415 0.621622
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 NVA 0.4375 0.666667
26 HCS 0.4375 0.758621
27 2NP 0.435897 0.611111
28 DAR 0.435897 0.764706
29 ARG 0.435897 0.764706
30 REZ 0.422222 0.621622
31 5CT 0.413043 0.742857
32 DGN 0.411765 0.636364
33 GGL 0.411765 0.645161
34 GLU 0.411765 0.645161
35 GLN 0.411765 0.636364
36 DGL 0.411765 0.645161
37 ILO 0.404762 0.714286
38 0TF 0.404255 0.722222
39 SHR 0.404255 0.8125
40 SER 0.4 0.645161
41 DBB 0.4 0.62069
42 ABA 0.4 0.62069
43 2RA 0.4 0.733333
44 DSN 0.4 0.645161
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2W24; Ligand: LYS; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 2w24.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2E1A MSE None
2 6B79 ORA None
3 43CA NPO 7.07965
4 3AB4 THR 8.66667
5 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 10.6667
6 5LKC FUC GLA A2G 11.3333
7 1VA6 P2S 11.3333
8 3KLL MAL 12.6667
Pocket No.: 2; Query (leader) PDB : 2W24; Ligand: LYS; 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: 2w24.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2W24; Ligand: LYS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2w24.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2W24; Ligand: LYS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2w24.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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