Receptor
PDB id Resolution Class Description Source Keywords
6Q79 2.01 Å NON-ENZYME: BINDING STRUCTURE OF FUCOSYLATED D-ANTIMICROBIAL PEPTIDE SB4 IN COMP THE FUCOSE-BINDING LECTIN PA-IIL AT 2.009 ANGSTROM RESOLUTI PSEUDOMONAS AERUGINOSA ANTIMICROBIAL LECTIN COMPLEX ANTIBIOTIC
Ref.: X-RAY CRYSTAL STRUCTURES OF SHORT ANTIMICROBIAL PEP PSEUDOMONAS AERUGINOSA LECTIN B COMPLEXES. ACS CHEM.BIOL. V. 14 758 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA D:301;
B:302;
B:301;
A:301;
A:302;
B:303;
A:303;
C:201;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
NH2 E:202;
H:202;
 Invalid;
Invalid;
 none;
none;
 submit data
16.023 H2 N [NH2]
ZDC H:1;
E:1;
 Invalid;
Invalid;
 none;
none;
 submit data
206.193 C8 H14 O6 C[C@H...
DLY DTY DLY DLY DAL DLE ZDC G:2;
F:2;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.061;
Atoms found LESS than expected: % Diff = 0.061;
 submit data
883.078 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6Q79 2.01 Å NON-ENZYME: BINDING STRUCTURE OF FUCOSYLATED D-ANTIMICROBIAL PEPTIDE SB4 IN COMP THE FUCOSE-BINDING LECTIN PA-IIL AT 2.009 ANGSTROM RESOLUTI PSEUDOMONAS AERUGINOSA ANTIMICROBIAL LECTIN COMPLEX ANTIBIOTIC
Ref.: X-RAY CRYSTAL STRUCTURES OF SHORT ANTIMICROBIAL PEP PSEUDOMONAS AERUGINOSA LECTIN B COMPLEXES. ACS CHEM.BIOL. V. 14 758 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6Q79 - DLY DTY DLY DLY DAL DLE ZDC n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 6Q79 - DLY DTY DLY DLY DAL DLE ZDC n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 6Q79 - DLY DTY DLY DLY DAL DLE ZDC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DLY DTY DLY DLY DAL DLE ZDC; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 DLY DTY DLY DLY DAL DLE ZDC 1 1
2 DLE DLY DAL DLE DLY DLY DLE DAL ZDC 0.712871 0.915254
3 GLY LEU TYR ALA SER LYS LEU ALA 0.638889 0.816667
4 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.576271 0.803279
5 LYS ALA ALA LYS ALA CYS NH2 ZDC 0.544643 0.883333
6 GLU LEU ASP LYS TYR ALA SER 0.491935 0.758065
7 GLY GLY LYS LYS LYS TYR LYS LEU 0.478261 0.783333
8 PHE LEU ALA TYR LYS 0.454545 0.737705
9 ALA LYS ALA ALA 0.453608 0.614035
10 GLY GLY LYS LYS LYS TYR GLN LEU 0.447154 0.783333
11 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.444444 0.727273
12 SER SER ARG LYS GLU TYR TYR ALA 0.432 0.723077
13 GLY GLY LYS LYS ARG TYR LYS LEU 0.429688 0.712121
14 GLY GLY LYS LYS LYS TYR ARG LEU 0.429688 0.712121
15 GLY GLY ARG LYS LYS TYR LYS LEU 0.429688 0.712121
16 ALA LYS ALA SER GLN ALA ALA 0.428571 0.706897
17 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA MYR 0.424658 0.734375
18 THR ASN GLU TYR LYS VAL 0.418033 0.783333
19 ALA MET TYR LYS 0.417391 0.698413
20 ACE PHE ALA TYR M3L SER NH2 0.41129 0.7
21 LYS TYR LYS 0.411215 0.741379
22 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.409091 0.676471
23 GLU LEU ARG ARG LYS MET MET TYR MET 0.408759 0.647887
24 PHE LEU SER TYR LYS 0.408 0.774194
25 GLU GLN TYR LYS PHE TYR SER VAL 0.406015 0.819672
26 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.405063 0.772727
27 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.40367 0.706897
28 ASP GLU LEU GLU ILE LYS ALA TYR 0.40146 0.770492
Similar Ligands (3D)
Ligand no: 1; Ligand: DLY DTY DLY DLY DAL DLE ZDC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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