Receptor
PDB id Resolution Class Description Source Keywords
3o9p 2.07 Å NON-ENZYME: BINDING THE STRUCTURE OF THE ESCHERICHIA COLI MUREIN TRIPEPTIDE BIND PROTEIN MPPA ESCHERICHIA COLI OLIGOPEPTIDE BINDING PROTEINS MUREIN TRIPEPTIDE PERIPLASMIPROTEIN PEPTIDE BINDING PROTEIN-PEPTIDE COMPLEX
Ref.: COMPENSATING STEREOCHEMICAL CHANGES ALLOW MUREIN TR TO BE ACCOMMODATED IN A CONVENTIONAL PEPTIDE-BINDIN PROTEIN. J.BIOL.CHEM. V. 286 31512 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MHI A:516;
Valid;
none;
Kd = 0.3 uM
390.389 C15 H26 N4 O8 CC(C(...
ZN A:517;
A:518;
A:519;
A:520;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3O9P 2.07 Å NON-ENZYME: BINDING THE STRUCTURE OF THE ESCHERICHIA COLI MUREIN TRIPEPTIDE BIND PROTEIN MPPA ESCHERICHIA COLI OLIGOPEPTIDE BINDING PROTEINS MUREIN TRIPEPTIDE PERIPLASMIPROTEIN PEPTIDE BINDING PROTEIN-PEPTIDE COMPLEX
Ref.: COMPENSATING STEREOCHEMICAL CHANGES ALLOW MUREIN TR TO BE ACCOMMODATED IN A CONVENTIONAL PEPTIDE-BINDIN PROTEIN. J.BIOL.CHEM. V. 286 31512 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 403 families.
1 3O9P Kd = 0.3 uM MHI C15 H26 N4 O8 CC(C(=O)NC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 316 families.
1 3O9P Kd = 0.3 uM MHI C15 H26 N4 O8 CC(C(=O)NC....
50% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 123 families.
1 1QKA Kd = 1200 nM LYS ARG LYS n/a n/a
2 1B3F Kd = 130 nM LYS HIS LYS n/a n/a
3 1B52 Kd = 76 nM LYS THR LYS n/a n/a
4 1B5H Kd = 0.97 uM LYS DPP LYS n/a n/a
5 1OLA - VAL LYS PRO GLY n/a n/a
6 1B2H Kd = 29 uM LYS ORN LYS n/a n/a
7 1B3G Kd = 200 nM LYS ILE LYS n/a n/a
8 1B4H Kd = 3.44 uM LYS DAB LYS n/a n/a
9 1B40 Kd = 53 nM LYS PHE LYS n/a n/a
10 1JET Kd = 56 nM LYS ALA LYS n/a n/a
11 1B5I Kd = 90 nM LYS ASN LYS n/a n/a
12 1B9J Kd = 1100 nM LYS LEU LYS n/a n/a
13 1OLC Kd = 2.7 uM LYS LYS LYS ALA n/a n/a
14 1B5J Kd = 37 nM LYS GLN LYS n/a n/a
15 1B3H Kd = 0.62 uM LYS ALC LYS n/a n/a
16 1JEU Kd = 150 nM LYS GLU LYS n/a n/a
17 2OLB Kd = 2900 nM LYS LYS LYS n/a n/a
18 1B6H Kd = 0.015 uM LYS NVA LYS n/a n/a
19 2RKM Ki = 125 uM LYS LYS n/a n/a
20 1B51 Kd = 43 nM LYS SER LYS n/a n/a
21 1B7H Kd = 0.0095 uM LYS NLE LYS n/a n/a
22 1B58 Kd = 260 nM LYS TYR LYS n/a n/a
23 1B0H Kd = 0.2 uM LYS ALN LYS n/a n/a
24 1JEV Kd = 130 nM LYS TRP LYS n/a n/a
25 1QKB Kd = 45 nM LYS VAL LYS n/a n/a
26 1B1H Kd = 0.093 uM LYS HPE LYS n/a n/a
27 1B32 Kd = 79 nM LYS MET LYS n/a n/a
28 1B05 Kd = 75 nM LYS CYS LYS n/a n/a
29 1B46 Kd = 5200 nM LYS PRO LYS n/a n/a
30 1B4Z Kd = 5900 nM LYS ASP LYS n/a n/a
31 1B3L Kd = 1300 nM LYS GLY LYS n/a n/a
32 2Z23 - LYS LYS LYS n/a n/a
33 3O9P Kd = 0.3 uM MHI C15 H26 N4 O8 CC(C(=O)NC....
34 3TCG Kd = 3e-06 M LYS GLY GLU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MHI; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 MHI 1 1
2 J0J 0.75 0.971429
3 3KS 0.728814 0.971429
4 KKA 0.442623 0.815789
5 VB1 0.439394 0.871795
6 3GC 0.431034 0.789474
7 M8F 0.428571 0.809524
8 W05 0.41791 0.894737
9 ACV 0.405797 0.85
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3O9P; Ligand: MHI; Similar sites found: 5
This union binding pocket(no: 1) in the query (biounit: 3o9p.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.002488 0.44803
2 4FE2 ASP 0.01821 0.41012
3 4FAJ LEU VAL THR LEU VAL PHE VAL 6.439e-05 0.40398
4 4NZ6 DLY 0.02677 0.40315
5 3ZH4 FLC 0.02136 0.40077
Pocket No.: 2; Query (leader) PDB : 3O9P; Ligand: MHI; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 3o9p.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.002488 0.44803
2 4FE2 ASP 0.01821 0.41012
3 4FAJ LEU VAL THR LEU VAL PHE VAL 6.439e-05 0.40398
4 4NZ6 DLY 0.02677 0.40315
5 3ZH4 FLC 0.02136 0.40077
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