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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 291 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 247 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 209 families.
1 5D1R - 56S C15 H30 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 56S; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 56S 1 1
2 TGL 0.555556 0.7
3 DDR 0.541667 0.606061
4 L2C 0.541667 0.606061
5 FAW 0.541667 0.606061
6 DGA 0.541667 0.606061
7 DAO FTT 0.5 0.740741
8 6UL 0.488372 0.791667
9 CUY 0.488372 0.791667
10 CNS 0.488372 0.791667
11 14U 0.47619 0.740741
12 EW8 0.459459 0.653846
13 DCR 0.459459 0.653846
14 DKA 0.459459 0.653846
15 X90 0.459459 0.653846
16 TDA 0.459459 0.653846
17 MYR 0.459459 0.653846
18 F15 0.459459 0.653846
19 11A 0.459459 0.653846
20 F23 0.459459 0.653846
21 STE 0.459459 0.653846
22 KNA 0.459459 0.653846
23 DAO 0.459459 0.653846
24 PLM 0.459459 0.653846
25 OCA 0.432432 0.653846
26 PJZ 0.40625 0.724138
27 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: 60
This union binding pocket(no: 1) in the query (biounit: 5d1r.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4LSJ LSJ None
2 3OZG SSI 1.25523
3 1EWF PC1 1.67364
4 1TDF FAD 2.09205
5 4JDR FAD 2.09205
6 2HHP FLC 2.09205
7 4CLI 5P8 2.09205
8 3D9F N6C 2.09205
9 3D9F FAD 2.09205
10 4U5I BXP 2.23325
11 1HBK MYR 2.24719
12 3Q9T FAY 2.51046
13 3G9E RO7 2.51046
14 3KMZ EQO 2.92887
15 4UP4 GAL NAG 2.92887
16 3NOJ PYR 2.94118
17 2EVL GAL SPH EIC 3.34928
18 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.76569
19 6CB2 OLC 4.1841
20 3WGT FAD 4.1841
21 3WGT QSC 4.1841
22 5DEY 59T 4.60251
23 1IG0 VIB 4.60251
24 4M0R 644 4.60251
25 5GZ9 ANP 4.60251
26 3T6E UQ9 5.02092
27 4R6W PC 5.02092
28 5LX9 OLB 5.02092
29 5IKH 6BW 5.43933
30 1RM0 NAI 5.43933
31 3TDC 0EU 5.85774
32 1O94 ADP 5.85774
33 3ITJ FAD 6.27615
34 4IAE 1DX 6.34921
35 5I8F ML1 6.69456
36 2BHW NEX 6.89655
37 2WSA 646 7.11297
38 2WSA MYA 7.11297
39 5CX6 CDP 7.11297
40 4LAE NAP 7.18563
41 4LAE 1VM 7.18563
42 6C0B PAM 7.69231
43 3A5Z KAA 7.8534
44 4M52 FAD 7.94979
45 2A8X FAD 7.94979
46 4UWJ 7L5 7.94979
47 4UWJ MYA 7.94979
48 2IO8 ADP 7.94979
49 4Y9J FAD 8.3682
50 2WET FAD 8.3682
51 4Y30 49L 8.3682
52 2YNE NHW 8.78661
53 2YNE YNE 8.78661
54 3CTY FAD 9.62343
55 3LOO B4P 10.4603
56 1SBR VIB 10.5
57 2GAG NAD 11.7155
58 1TV5 N8E 11.7155
59 4OIV XX9 11.9469
60 4YKG FAD 12.9707
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