Receptor
PDB id Resolution Class Description Source Keywords
3ALU 1.65 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF CEL-IV COMPLEXED WITH RAFFINOSE CUCUMARIA ECHINATA CEL-IV C-TYPE LECTIN RAFFINOSE SUGAR BINDING PROTEIN
Ref.: GALACTOSE RECOGNITION BY A TETRAMERIC C-TYPE LECTIN CONTAINING THE EPN CARBOHYDRATE RECOGNITION MOTIF J.BIOL.CHEM. V. 286 10305 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:201;
B:201;
C:201;
D:201;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
EDO A:159;
A:160;
B:159;
C:159;
C:160;
C:161;
C:162;
D:159;
D:160;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
FRU GLC GLA F:1;
E:1;
G:1;
H:1;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
504.438 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ALT 2.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF CEL-IV COMPLEXED WITH MELIBIOSE CUCUMARIA ECHINATA CEL-IV C-TYPE LECTIN MELIBIOSE SUGAR BINDING PROTEIN
Ref.: GALACTOSE RECOGNITION BY A TETRAMERIC C-TYPE LECTIN CONTAINING THE EPN CARBOHYDRATE RECOGNITION MOTIF J.BIOL.CHEM. V. 286 10305 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3ALU - FRU GLC GLA n/a n/a
2 3ALT Ka = 330 M^-1 GLC GLA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 3ALU - FRU GLC GLA n/a n/a
2 3ALT Ka = 330 M^-1 GLC GLA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 3ALU - FRU GLC GLA n/a n/a
2 3ALT Ka = 330 M^-1 GLC GLA n/a n/a
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 : 3ALT; Ligand: GLC GLA; 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: 3alt.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3ALT; Ligand: GLC GLA; 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: 3alt.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3ALT; Ligand: GLC GLA; 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: 3alt.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3ALT; Ligand: GLC GLA; 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: 3alt.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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