Receptor
PDB id Resolution Class Description Source Keywords
2JE7 1.65 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF RECOMBINANT DIOCLEA GUIANENSIS LECTIN S131H COMPLEXED WITH 5-BROMO-4-CHLORO-3-INDOLYL-A-D-MANNOSE DIOCLEA GUIANENSIS CARBOHYDRATE BINDING PROTEIN CONA-LIKE METAL-BINDING LEGULECTIN RECOMBINANT LECTIN SUGAR-BINDING PROTEIN
Ref.: INSIGHTS INTO THE STRUCTURAL BASIS OF THE PH- DEPEN DIMER-TETRAMER EQUILIBRIUM THROUGH CRYSTALLOGRAPHIC ANALYSIS OF RECOMBINANT DIOCLEINAE LECTINS. BIOCHEM.J. V. 409 417 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1241;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MN A:1240;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
XMM A:1242;
Valid;
none;
submit data
408.629 C14 H15 Br Cl N O6 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JE7 1.65 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF RECOMBINANT DIOCLEA GUIANENSIS LECTIN S131H COMPLEXED WITH 5-BROMO-4-CHLORO-3-INDOLYL-A-D-MANNOSE DIOCLEA GUIANENSIS CARBOHYDRATE BINDING PROTEIN CONA-LIKE METAL-BINDING LEGULECTIN RECOMBINANT LECTIN SUGAR-BINDING PROTEIN
Ref.: INSIGHTS INTO THE STRUCTURAL BASIS OF THE PH- DEPEN DIMER-TETRAMER EQUILIBRIUM THROUGH CRYSTALLOGRAPHIC ANALYSIS OF RECOMBINANT DIOCLEINAE LECTINS. BIOCHEM.J. V. 409 417 2008
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 544 families.
1 3A0K - ABA C4 H9 N O2 CC[C@@H](C....
2 2JE7 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
3 5UUY - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
4 6CJ9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
5 3SH3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
6 2JE9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
7 3RS6 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
8 2JDZ - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
9 2JEC - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
10 1DGL - MMA MAN MAN n/a n/a
11 5TG3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 420 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - GLC GLC n/a n/a
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MMA MAN n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MMA MAN n/a n/a
10 2P37 - ZEL MAN n/a n/a
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MMA MAN MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MMA MAN n/a n/a
18 2CY6 - GLC GLC n/a n/a
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MMA MAN n/a n/a
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - H1M MAN MAN n/a n/a
27 1QDC - MMA MAN n/a n/a
28 1MVQ - MMA C7 H14 O6 CO[C@@H]1[....
29 3U4X - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
30 3A0K - ABA C4 H9 N O2 CC[C@@H](C....
31 2JE7 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
32 5UUY - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
33 6CJ9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
34 3SH3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
35 2JE9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
36 3RS6 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
37 2JDZ - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
38 2JEC - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
39 1DGL - MMA MAN MAN n/a n/a
40 5TG3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - GLC GLC n/a n/a
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MMA MAN n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MMA MAN n/a n/a
10 2P37 - ZEL MAN n/a n/a
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MMA MAN MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MMA MAN n/a n/a
18 2CY6 - GLC GLC n/a n/a
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MMA MAN n/a n/a
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - H1M MAN MAN n/a n/a
27 1QDC - MMA MAN n/a n/a
28 1MVQ - MMA C7 H14 O6 CO[C@@H]1[....
29 3U4X - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
30 3A0K - ABA C4 H9 N O2 CC[C@@H](C....
31 2JE7 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
32 5UUY - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
33 6CJ9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
34 3SH3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
35 2JE9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
36 3RS6 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
37 2JDZ - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
38 2JEC - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
39 1DGL - MMA MAN MAN n/a n/a
40 5TG3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XMM; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 XMM 1 1
2 SA0 0.430556 0.653846
3 6GR 0.426667 0.641509
4 CWK 0.414634 0.740741
5 56N 0.405797 0.647059
6 GAT 0.4 0.654545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JE7; Ligand: XMM; 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: 2je7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2JE7; Ligand: XMM; 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: 2je7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2JE7; Ligand: XMM; 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: 2je7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2JE7; Ligand: XMM; 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: 2je7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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