Receptor
PDB id Resolution Class Description Source Keywords
5OFX 1.75 Å NON-ENZYME: OTHER PLLA LECTIN, TRISACCHARIDE COMPLEX PHOTORHABDUS LUMINESCENS SUBSP. LAUMON(STRAIN DSM 15139 / CIP 105565 / TT01) PLLA COMPLEX LECTIN CARBOHYDRATE SUGAR BINDING PROTEIN
Ref.: PHOTORHABDUS LUMINESCENS LECTIN A (PLLA): A NEW PRO DETECTING ALPHA-GALACTOSIDE-TERMINATING GLYCOCONJUG J. BIOL. CHEM. V. 292 19935 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA D:202;
B:202;
E:202;
F:202;
A:202;
C:202;
H:202;
G: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...
FRU GLC GLA L:1;
M:1;
J:1;
O:1;
I:1;
K:1;
N:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
 ic50 = 0.11 mM
504.438 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OFI 2 Å NON-ENZYME: OTHER PLLA LECTIN, FLUOROPHORE CARBOHYDRATE COMPLEX PHOTORHABDUS LUMINESCENS PIIA COMPLEX LECTIN SUGAR BINDING PROTEIN
Ref.: PHOTORHABDUS LUMINESCENS LECTIN A (PLLA): A NEW PRO DETECTING ALPHA-GALACTOSIDE-TERMINATING GLYCOCONJUG J. BIOL. CHEM. V. 292 19935 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5OFI Kd = 62.7 uM 9TQ C29 H30 N2 O11 S c1cc(c(cc1....
2 5OFX ic50 = 0.11 mM FRU GLC GLA n/a n/a
3 5ODU ic50 = 0.52 mM AMG C7 H14 O6 CO[C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5OFI Kd = 62.7 uM 9TQ C29 H30 N2 O11 S c1cc(c(cc1....
2 5OFX ic50 = 0.11 mM FRU GLC GLA n/a n/a
3 5ODU ic50 = 0.52 mM AMG C7 H14 O6 CO[C@@H]1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5OFI Kd = 62.7 uM 9TQ C29 H30 N2 O11 S c1cc(c(cc1....
2 5OFX ic50 = 0.11 mM FRU GLC GLA n/a n/a
3 5ODU ic50 = 0.52 mM AMG C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FRU GLC GLA; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU GLC GLA 1 1
2 GLC FRU GLA GLA GLA 0.982456 1
3 GLC FRU GLA GLA 0.982456 1
4 GLC FRU GLA 0.710145 0.947368
5 GLC FRU FRU 0.651515 0.947368
6 Z9N GLC 0.537313 0.947368
7 MMA MAN 0.53125 0.846154
8 BGC GLC GLC GLC GLC GLC 0.523077 0.891892
9 BGC GLC GLC GLC GLC 0.523077 0.891892
10 GLC FRU 0.5 0.921053
11 ZEE UEA FRU FRU FRU 0.486842 0.947368
12 GLC FRU FRU FRU 0.486842 0.947368
13 BGC GLC GLC 0.472973 0.891892
14 BGC GLC GLC GLC 0.448718 0.891892
15 GLC GLC GLC GLC GLC 0.448718 0.891892
16 AHR AHR AHR AHR AHR AHR 0.439394 0.864865
17 AHR AHR AHR AHR 0.439394 0.864865
18 AHR AHR AHR AHR AHR 0.439394 0.864865
19 AHR AHR 0.4375 0.864865
20 GLC GLC GLC 0.435897 0.846154
21 BMA MAN MAN 0.426667 0.891892
22 BGC BGC BGC BGC 0.419753 0.891892
23 MMA MAN MAN 0.415584 0.846154
24 GLC GLC FRU 0.404762 0.973684
25 H1M MAN MAN 0.402439 0.785714
Similar Ligands (3D)
Ligand no: 1; Ligand: FRU GLC GLA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GLA GLC FRU 0.9325
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OFI; Ligand: 9TQ; 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: 5ofi.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5OFI; Ligand: 9TQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5ofi.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5OFI; Ligand: 9TQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5ofi.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5OFI; Ligand: 9TQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5ofi.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5OFI; Ligand: 9TQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5ofi.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5OFI; Ligand: 9TQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5ofi.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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