Receptor
PDB id Resolution Class Description Source Keywords
6FH4 2.49 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CTSR C-TERMINAL DOMAIN WITH BOUND PHOSPHO-ARGININE BACILLUS SUBTILIS TRANSCRIPTION FACTOR HEAT-SHOCK RESPONSE PROTEIN ARGININE PHOSPHORYLATION PHOSPHO-BINDING DOMAIN PHOSPHOARGININE-BIDOMAIN SIGNALING PROTEIN
Ref.: STRUCTURE OF MCSB, A PROTEIN KINASE FOR REGULATED A PHOSPHORYLATION. NAT.CHEM.BIOL. V. 15 510 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RPI C:201;
A:201;
B:201;
 Valid;
Valid;
Valid;
 none;
none;
Atoms found MORE than expected: % Diff = 2;
 submit data
254.181 C6 H15 N4 O5 P [H]/N...
PO4 D:201;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FH4 2.49 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CTSR C-TERMINAL DOMAIN WITH BOUND PHOSPHO-ARGININE BACILLUS SUBTILIS TRANSCRIPTION FACTOR HEAT-SHOCK RESPONSE PROTEIN ARGININE PHOSPHORYLATION PHOSPHO-BINDING DOMAIN PHOSPHOARGININE-BIDOMAIN SIGNALING PROTEIN
Ref.: STRUCTURE OF MCSB, A PROTEIN KINASE FOR REGULATED A PHOSPHORYLATION. NAT.CHEM.BIOL. V. 15 510 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 6FH4 - RPI C6 H15 N4 O5 P [H]/N=C(/N....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 6FH4 - RPI C6 H15 N4 O5 P [H]/N=C(/N....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 6FH4 - RPI C6 H15 N4 O5 P [H]/N=C(/N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RPI; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 RPI 1 1
2 HAR 0.630435 0.711538
3 NMM 0.630435 0.615385
4 1KJ 0.58 0.685185
5 NRG 0.568627 0.789474
6 PAO 0.54 0.8
7 2KJ 0.537037 0.672727
8 AS1 0.537037 0.76
9 CIR 0.533333 0.627451
10 ARG 0.521739 0.64
11 DAR 0.521739 0.64
12 WT2 0.52 0.62
13 3KJ 0.5 0.696429
14 HRG 0.46 0.64
15 2MR 0.444444 0.603774
16 5OY 0.425532 0.72
17 2JJ 0.425532 0.72
18 NNH 0.42 0.698113
Similar Ligands (3D)
Ligand no: 1; Ligand: RPI; Similar ligands found: 34
No: Ligand Similarity coefficient
1 PSQ 0.8974
2 D20 0.8934
3 LBY 0.8890
4 8CV 0.8876
5 HPX 0.8872
6 3AR 0.8869
7 U55 0.8860
8 LZ4 0.8857
9 3CX 0.8797
10 HE1 0.8762
11 9OD 0.8747
12 QTD 0.8743
13 DTB 0.8707
14 HPK 0.8697
15 B15 0.8694
16 M29 0.8689
17 FQY 0.8682
18 2YC 0.8679
19 QTJ 0.8675
20 1GO 0.8663
21 1J1 0.8661
22 M25 0.8659
23 5D4 0.8650
24 00G 0.8644
25 Q86 0.8637
26 G6Q 0.8620
27 NFZ 0.8619
28 L4K 0.8594
29 KAP 0.8593
30 ALY 0.8572
31 S6P 0.8549
32 SZA 0.8543
33 PTR 0.8533
34 5R8 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FH4; Ligand: RPI; 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: 6fh4.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6FH4; Ligand: RPI; 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: 6fh4.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6FH4; Ligand: RPI; 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: 6fh4.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback