Receptor
PDB id Resolution Class Description Source Keywords
3o4k 2.11 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE COMPLEX OF PEPTIDOGLYCAN RECOGNITIO (PGRP-S) AND LIPOTEICHOIC ACID AT 2.1 A RESOLUTION CAMELUS DROMEDARIUS IMMUNE RESPONSE SECRETED ANTIMICROBIAL PGRP ANTIBIOTIC PEPTIDOGLYCAN BINDING IMMUNE SYSTEM
Ref.: STRUCTURAL BASIS OF RECOGNITION OF PATHOGEN-ASSOCIA MOLECULAR PATTERNS AND INHIBITION OF PROINFLAMMATOR CYTOKINES BY CAMEL PEPTIDOGLYCAN RECOGNITION PROTEI J.BIOL.CHEM. V. 286 16208 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL D:172;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
LTC C:172;
 Valid;
 none;
 Kd = 24 nM
774.979 C39 H70 N2 O13 CCCCC...
TLA D:173;
 Invalid;
 none;
 submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RT4 1.7 Å NON-ENZYME: OTHER STRUCTURAL BASIS OF RECOGNITION OF PATHOGEN-ASSOCIATED MOLEC PATTERNS AND INHIBITION OF PROINFLAMMATORY CYTOKINES BY CAMP EPTIDOGLYCAN RECOGNITION PROTEIN CAMELUS DROMEDARIUS IMMUNE RESPONSE SECRETED ANTIMICROBIAL PGRP PEPTIDOGLYCABINDING IMMUNE SYSTEM
Ref.: STRUCTURAL BASIS OF RECOGNITION OF PATHOGEN-ASSOCIA MOLECULAR PATTERNS AND INHIBITION OF PROINFLAMMATOR CYTOKINES BY CAMEL PEPTIDOGLYCAN RECOGNITION PROTEI J.BIOL.CHEM. V. 286 16208 2011
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3RT4 Kd = 1.6 nM LP5 C34 H66 N O12 P CCCCCCCCCC....
2 3NG4 - NAG C8 H15 N O6 CC(=O)N[C@....
3 3NW3 Kd = 0.32 uM DGN ALA NDG LAC n/a n/a
4 3O4K Kd = 24 nM LTC C39 H70 N2 O13 CCCCCCCC=C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3RT4 Kd = 1.6 nM LP5 C34 H66 N O12 P CCCCCCCCCC....
2 3NG4 - NAG C8 H15 N O6 CC(=O)N[C@....
3 3NW3 Kd = 0.32 uM DGN ALA NDG LAC n/a n/a
4 3O4K Kd = 24 nM LTC C39 H70 N2 O13 CCCCCCCC=C....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3RT4 Kd = 1.6 nM LP5 C34 H66 N O12 P CCCCCCCCCC....
2 3NG4 - NAG C8 H15 N O6 CC(=O)N[C@....
3 3NW3 Kd = 0.32 uM DGN ALA NDG LAC n/a n/a
4 3O4K Kd = 24 nM LTC C39 H70 N2 O13 CCCCCCCC=C....
5 2CB3 Kd = 27 nM MLD C37 H59 N7 O20 C[C@@H](C(....
6 2APH - AMU ALA GMA LYS DAL DAL NH2 n/a n/a
7 1TWQ - AMU ALA GMA LYS NH2 n/a n/a
8 2EAX Kd = 227 mM ALA FGA LYS DAL DAL AMV NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LTC; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 LTC 1 1
2 GGD 0.6875 0.779661
3 1O2 0.6 0.745763
4 3TF 0.594595 0.745763
5 1L2 0.559322 0.745763
6 DGD 0.475 0.762712
7 B7N 0.441667 0.61194
Similar Ligands (3D)
Ligand no: 1; Ligand: LTC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RT4; Ligand: LP5; 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: 3rt4.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
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