Receptor
PDB id Resolution Class Description Source Keywords
3NW3 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE COMPLEX OF PEPTIDOGLYCAN RECOGNITIO (PGRP-S) WITH THE PGN FRAGMENT AT 2.5 A RESOLUTION CAMELUS DROMEDARIUS IMMUNE RESPONSE SECRETED ANTIMICROBIAL PGRP ANTIBIOTIC PEPTIDOGLYCAN BINDING IMMUNE SYSTEM
Ref.: MULTILIGAND SPECIFICITY OF PATHOGEN-ASSOCIATED MOLE PATTERN-BINDING SITE IN PEPTIDOGLYCAN RECOGNITION P J.BIOL.CHEM. V. 286 31723 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL D:202;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TLA D:201;
Invalid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
DGN ALA NDG LAC D:203;
Valid;
none;
Kd = 0.32 uM
491.474 n/a O=C([...
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: DGN ALA NDG LAC; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 DGN ALA NDG LAC 1 1
2 3LT 0.738095 0.980769
3 MUB ALA NAG DGN 0.673469 0.945455
4 ALA FGA API DAL DAL MUB 0.653846 0.962963
5 AMU ALA GMA LYS NH2 0.601942 0.928571
6 AMU ALA NAG DGL 0.588235 0.927273
7 AMU ALA GMA LYS DAL DAL NH2 0.563636 0.928571
8 MUB ALA ZGL ALY DAL NH2 0.558559 0.896552
9 MUB ALA NAG GLN 0.53271 0.927273
10 AMU 0.531646 0.826923
11 MUB ALA NAG ZGL 0.523364 0.945455
12 AMV ALA FGA LYS DAL DAL 0.522124 0.912281
13 AH0 ALA FGA LYS 0.504587 0.852459
14 ALA FGA LYS DAL DAL AMV NAG 0.4375 0.866667
15 89A 0.421053 0.807018
16 ALA NAG AH0 DAL 0.401786 0.813559
17 AMU NAG 0.4 0.854545
Similar Ligands (3D)
Ligand no: 1; Ligand: DGN ALA NDG LAC; 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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