Receptor
PDB id Resolution Class Description Source Keywords
1RQ2 1.86 Å NON-ENZYME: CELL_CYCLE MYCOBACTERIUM TUBERCULOSIS FTSZ IN COMPLEX WITH CITRATE MYCOBACTERIUM TUBERCULOSIS CELL CYCLE TUBULIN GTPASE SIGNALING PROTEIN
Ref.: STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS FTSZ REVEAL UNEXPECTED, G PROTEIN-LIKE CONFORMATIONAL SWITCHES. J.MOL.BIOL. V. 342 953 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:380;
Valid;
none;
ic50 = 3 mM
192.124 C6 H8 O7 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RQ2 1.86 Å NON-ENZYME: CELL_CYCLE MYCOBACTERIUM TUBERCULOSIS FTSZ IN COMPLEX WITH CITRATE MYCOBACTERIUM TUBERCULOSIS CELL CYCLE TUBULIN GTPASE SIGNALING PROTEIN
Ref.: STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS FTSZ REVEAL UNEXPECTED, G PROTEIN-LIKE CONFORMATIONAL SWITCHES. J.MOL.BIOL. V. 342 953 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 1RQ2 ic50 = 3 mM CIT C6 H8 O7 C(C(=O)O)C....
2 1RLU - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1RQ2 ic50 = 3 mM CIT C6 H8 O7 C(C(=O)O)C....
2 1RLU - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4DXD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 3WGM - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 2RHL - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 2RHO - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
5 5XDV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 5XDT - MB3 C5 H9 N O CN1CCCC1=O
7 5H5G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 5H5H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 5H5I - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 5XDW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
11 5MN4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
12 5XDU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
13 1W5F - G2P C11 H18 N5 O13 P3 c1nc2c(n1[....
14 1RQ2 ic50 = 3 mM CIT C6 H8 O7 C(C(=O)O)C....
15 1RLU - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
16 1W5B - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
17 1W5A - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
18 1W58 - G2P C11 H18 N5 O13 P3 c1nc2c(n1[....
19 2VAP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 2R6R - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 2R75 Kd = 714 nM 01G C14 H23 N6 O15 P3 C1COCCN1c2....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RQ2; Ligand: CIT; 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: 1rq2.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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