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Receptor
PDB id Resolution Class Description Source Keywords
5HBN 1.6 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CLPC N-TERMINAL DOMAIN WITH BOUND PHOSPHO-ARGININE BACILLUS SUBTILIS (STRAIN 168) CLP PROTEASE DEGRADATION TAG PROTEIN PHOSPHORYLATION PHOSRESIDUE BINDING SITE HYDROLASE
Ref.: ARGININE PHOSPHORYLATION MARKS PROTEINS FOR DEGRADA CLP PROTEASE. NATURE V. 539 48 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RPI A:207;
A:206;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0;
none;
Kd = 12.9 uM
254.181 C6 H15 N4 O5 P [H]/N...
SO4 A:201;
A:205;
A:203;
A:204;
A:202;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ACT A:208;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HBN 1.6 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CLPC N-TERMINAL DOMAIN WITH BOUND PHOSPHO-ARGININE BACILLUS SUBTILIS (STRAIN 168) CLP PROTEASE DEGRADATION TAG PROTEIN PHOSPHORYLATION PHOSRESIDUE BINDING SITE HYDROLASE
Ref.: ARGININE PHOSPHORYLATION MARKS PROTEINS FOR DEGRADA CLP PROTEASE. NATURE V. 539 48 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 5HBN Kd = 12.9 uM 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 247 families.
1 5HBN Kd = 12.9 uM 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 209 families.
1 5HBN Kd = 12.9 uM RPI C6 H15 N4 O5 P [H]/N=C(/N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RPI; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 RPI 1 1
2 NMM 0.630435 0.615385
3 HAR 0.630435 0.711538
4 1KJ 0.58 0.685185
5 NRG 0.568627 0.789474
6 PAO 0.54 0.8
7 AS1 0.537037 0.76
8 2KJ 0.537037 0.672727
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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HBN; 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: 5hbn.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5HBN; 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: 5hbn.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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