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 257 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 222 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 185 families.
1 5D1R - 56S C15 H30 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 56S; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 56S 1 1
2 TGL 0.555556 0.7
3 L2C 0.541667 0.606061
4 DGA 0.541667 0.606061
5 DDR 0.541667 0.606061
6 CNS 0.488372 0.791667
7 6UL 0.488372 0.791667
8 14U 0.47619 0.740741
9 DCR 0.459459 0.653846
10 F23 0.459459 0.653846
11 TDA 0.459459 0.653846
12 11A 0.459459 0.653846
13 F15 0.459459 0.653846
14 PLM 0.459459 0.653846
15 STE 0.459459 0.653846
16 KNA 0.459459 0.653846
17 DAO 0.459459 0.653846
18 DKA 0.459459 0.653846
19 MYR 0.459459 0.653846
20 OCA 0.432432 0.653846
21 PJZ 0.40625 0.724138
22 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: 19
This union binding pocket(no: 1) in the query (biounit: 5d1r.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JDR FAD 0.02563 0.41393 2.09205
2 4CLI 5P8 0.03592 0.40633 2.09205
3 4U5I BXP 0.004365 0.43833 2.23325
4 3G9E RO7 0.03187 0.40136 2.51046
5 3WGT FAD 0.04452 0.40621 4.1841
6 3WGT QSC 0.04596 0.40621 4.1841
7 1IG0 VIB 0.005898 0.42402 4.60251
8 4M0R 644 0.0339 0.40849 4.60251
9 5GZ9 ANP 0.01456 0.40516 4.60251
10 4IAE 1DX 0.01937 0.41114 6.34921
11 4M52 FAD 0.009236 0.43764 7.94979
12 4UWJ 7L5 0.03932 0.41763 7.94979
13 4UWJ MYA 0.03932 0.41763 7.94979
14 2WET FAD 0.03016 0.41027 8.3682
15 1HN4 MJI 0.0105 0.44908 8.39695
16 2YNE YNE 0.03127 0.42588 8.78661
17 2YNE NHW 0.03127 0.42588 8.78661
18 3LOO B4P 0.01909 0.41473 10.4603
19 1TV5 N8E 0.008617 0.41954 11.7155
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