Receptor
PDB id Resolution Class Description Source Keywords
5D1R 2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS RV1816 TRANS REGULATOR. MYCOBACTERIUM TUBERCULOSIS (STRAIN CDCOSHKOSH) MYCOBACTERIUM TUBERCULOSIS TRANSCRIPTIONAL REGULATOR TRANS
Ref.: STRUCTURAL BASIS FOR THE REGULATION OF THE MMPL TRA OF MYCOBACTERIUM TUBERCULOSIS. J.BIOL.CHEM. V. 290 28559 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:303;
B:301;
B:302;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
NI A:301;
A:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.693 Ni [Ni+2...
MG B:303;
A:304;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
56S A:305;
Valid;
none;
submit data
242.397 C15 H30 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5D1R 2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS RV1816 TRANS REGULATOR. MYCOBACTERIUM TUBERCULOSIS (STRAIN CDCOSHKOSH) MYCOBACTERIUM TUBERCULOSIS TRANSCRIPTIONAL REGULATOR TRANS
Ref.: STRUCTURAL BASIS FOR THE REGULATION OF THE MMPL TRA OF MYCOBACTERIUM TUBERCULOSIS. J.BIOL.CHEM. V. 290 28559 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 5D1R - 56S C15 H30 O2 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 5D1R - 56S C15 H30 O2 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 5D1R - 56S C15 H30 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 56S; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 56S 1 1
2 TGL 0.555556 0.7
3 1EM 0.541667 0.606061
4 L2C 0.541667 0.606061
5 DDR 0.541667 0.606061
6 DGA 0.541667 0.606061
7 FAW 0.541667 0.606061
8 DAO FTT 0.5 0.740741
9 6UL 0.488372 0.791667
10 CUY 0.488372 0.791667
11 CNS 0.488372 0.791667
12 14U 0.47619 0.740741
13 DCR 0.459459 0.653846
14 DAO 0.459459 0.653846
15 TDA 0.459459 0.653846
16 F15 0.459459 0.653846
17 EW8 0.459459 0.653846
18 KNA 0.459459 0.653846
19 PLM 0.459459 0.653846
20 F23 0.459459 0.653846
21 11A 0.459459 0.653846
22 STE 0.459459 0.653846
23 DKA 0.459459 0.653846
24 X90 0.459459 0.653846
25 MYR 0.459459 0.653846
26 OCA 0.432432 0.653846
27 PJZ 0.40625 0.724138
28 T80 0.403846 0.633333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5D1R; Ligand: 56S; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5d1r.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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