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 C[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 473 families.
1 3O9P Kd = 0.3 uM MHI C15 H26 N4 O8 C[C@@H](C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3O9P Kd = 0.3 uM MHI C15 H26 N4 O8 C[C@@H](C(....
50% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 3O9P Kd = 0.3 uM MHI C15 H26 N4 O8 C[C@@H](C(....
2 1B5H Kd = 0.97 uM LYS DPP LYS n/a n/a
3 1B3G Kd = 200 nM LYS ILE LYS n/a n/a
4 1B40 Kd = 53 nM LYS PHE LYS n/a n/a
5 1JET Kd = 56 nM LYS ALA LYS n/a n/a
6 1B5I Kd = 90 nM LYS ASN LYS n/a n/a
7 1B5J Kd = 37 nM LYS GLN LYS n/a n/a
8 2OLB Kd = 2900 nM LYS LYS LYS n/a n/a
9 1B6H Kd = 0.015 uM LYS NVA LYS n/a n/a
10 1B7H Kd = 0.0095 uM LYS NLE LYS n/a n/a
11 1B0H Kd = 0.2 uM LYS ALN LYS n/a n/a
12 1B46 Kd = 5200 nM LYS PRO LYS n/a n/a
13 1B4Z Kd = 5900 nM LYS ASP LYS n/a n/a
14 1B3L Kd = 1300 nM LYS GLY LYS n/a n/a
15 1QKA Kd = 1200 nM LYS ARG LYS n/a n/a
16 1B3F Kd = 130 nM LYS HIS LYS n/a n/a
17 1B52 Kd = 76 nM LYS THR LYS n/a n/a
18 1OLA - VAL LYS PRO GLY n/a n/a
19 1B2H Kd = 29 uM LYS ORN LYS n/a n/a
20 1B4H Kd = 3.44 uM LYS DAB LYS n/a n/a
21 1B9J Kd = 1100 nM LYS LEU LYS n/a n/a
22 1OLC Kd = 2.7 uM LYS LYS LYS ALA n/a n/a
23 1B3H Kd = 0.62 uM LYS ALC LYS n/a n/a
24 1JEU Kd = 150 nM LYS GLU LYS n/a n/a
25 2RKM Ki = 125 uM LYS LYS n/a n/a
26 1B51 Kd = 43 nM LYS SER LYS n/a n/a
27 1B58 Kd = 260 nM LYS TYR LYS n/a n/a
28 1JEV Kd = 130 nM LYS TRP LYS n/a n/a
29 1QKB Kd = 45 nM LYS VAL LYS n/a n/a
30 1B1H Kd = 0.093 uM LYS HPE LYS n/a n/a
31 1B32 Kd = 79 nM LYS MET LYS n/a n/a
32 1B05 Kd = 75 nM LYS CYS LYS n/a n/a
33 3TCG Kd = 0.00000145 M LYS GLY GLU n/a n/a
34 2Z23 - LYS LYS LYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MHI; Similar ligands found: 10
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
10 6X4 0.402597 0.809524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3O9P; Ligand: MHI; Similar sites found: 4
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 4FE2 ASP 0.01821 0.41012
2 4FAJ LEU VAL THR LEU VAL PHE VAL 0.00006439 0.40398
3 4NZ6 DLY 0.02677 0.40315
4 3ZH4 FLC 0.02136 0.40077
Pocket No.: 2; Query (leader) PDB : 3O9P; Ligand: MHI; Similar sites found: 23
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 2Z5Y HRM 0.00004635 0.46962
2 2V5E SCR 0.02054 0.46369
3 5T63 ALA ALA ALA ALA 0.0003836 0.46061
4 3F81 STT 0.01771 0.46009
5 2F2U M77 0.008878 0.43756
6 1SJW NGV 0.00009803 0.43372
7 1TV5 ORO 0.005524 0.43252
8 2BMK PDD 0.03092 0.43209
9 3TI8 LNV 0.00007176 0.43196
10 5A2J ALA PRO ASP THR ARG PRO 0.04902 0.43192
11 2PP3 LGT 0.0001708 0.42689
12 1SQ5 ADP 0.01728 0.42062
13 4Q3S X7A 0.003559 0.41993
14 2Z9V PXM 0.04103 0.41471
15 4FE2 ASP 0.01821 0.41012
16 3OYZ ACO 0.0008405 0.40843
17 3NGU ADP 0.03 0.40665
18 3TI8 LNV 0.0006149 0.40644
19 3A2Y TS5 0.02194 0.40611
20 4FAJ LEU VAL THR LEU VAL PHE VAL 0.00006439 0.40398
21 4NZ6 DLY 0.02677 0.40315
22 2WA4 069 0.0474 0.40108
23 3ZH4 FLC 0.02136 0.40077
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