Receptor
PDB id Resolution Class Description Source Keywords
2BMZ 2.4 Å NON-ENZYME: BINDING BANANA LECTIN BOUND TO XYL-B1,3 MAN-A-O-METHYL (XM) MUSA ACUMINATA MANNOSE-SPECIFIC JACALIN-RELATED LECTIN SUGAR BINDING PROTE
Ref.: CRYSTAL STRUCTURE OF BANANA LECTIN REVEALS A NOVEL SECOND SUGAR BINDING SITE. GLYCOBIOLOGY V. 15 1033 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:1145;
A:1146;
Invalid;
Invalid;
none;
none;
submit data
112.411 Cd [Cd+2...
SO4 A:1141;
A:1144;
B:1143;
B:1145;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
XLM A:1142;
A:1143;
B:1142;
B:1146;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 0.2 mM
326.297 C12 H22 O10 CO[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BMZ 2.4 Å NON-ENZYME: BINDING BANANA LECTIN BOUND TO XYL-B1,3 MAN-A-O-METHYL (XM) MUSA ACUMINATA MANNOSE-SPECIFIC JACALIN-RELATED LECTIN SUGAR BINDING PROTE
Ref.: CRYSTAL STRUCTURE OF BANANA LECTIN REVEALS A NOVEL SECOND SUGAR BINDING SITE. GLYCOBIOLOGY V. 15 1033 2005
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2BMZ Kd = 0.2 mM XLM C12 H22 O10 CO[C@@H]1[....
2 1X1V - MMA C7 H14 O6 CO[C@@H]1[....
3 3MIT - MAN C6 H12 O6 C([C@@H]1[....
4 4PIK - MAN MAN n/a n/a
5 4PIT - MAN MAN n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2BMZ Kd = 0.2 mM XLM C12 H22 O10 CO[C@@H]1[....
2 1X1V - MMA C7 H14 O6 CO[C@@H]1[....
3 3MIT - MAN C6 H12 O6 C([C@@H]1[....
4 4PIK - MAN MAN n/a n/a
5 4PIT - MAN MAN n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2BMZ Kd = 0.2 mM XLM C12 H22 O10 CO[C@@H]1[....
2 1X1V - MMA C7 H14 O6 CO[C@@H]1[....
3 3MIT - MAN C6 H12 O6 C([C@@H]1[....
4 4PIK - MAN MAN n/a n/a
5 4PIT - MAN MAN n/a n/a
6 1C3N - MAN MAN n/a n/a
7 1C3M - MAN MAN n/a n/a
8 5TQZ - GLC C6 H12 O6 C([C@@H]1[....
9 5M6O - MAN C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XLM; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 XLM 1 1
2 M13 0.561404 0.972222
3 MDM 0.561404 0.972222
4 GAL MBG 0.561404 0.972222
5 NAG MBG 0.449275 0.729167
6 ARW 0.431373 0.837838
7 MAN MMA MAN 0.428571 0.972222
8 XYP XYP XYP AHR 0.428571 0.894737
9 XYP AHR XYP XYP 0.428571 0.894737
10 XYS XYP AHR XYP 0.428571 0.894737
11 AHR XYS XYP XYP XYP 0.421053 0.894737
12 GYP 0.407407 0.888889
13 MMA 0.407407 0.888889
14 MBG 0.407407 0.888889
15 AMG 0.407407 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BMZ; Ligand: XLM; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 2bmz.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5M67 3D1 0.01147 0.41779 4.96454
2 2ZRU FMN 0.006877 0.41678 4.96454
3 5M67 NAD 0.01246 0.41612 4.96454
4 2Z3Y F2N 0.02183 0.40081 4.96454
5 1F06 NDP 0.008288 0.4074 7.80142
6 3OND NAD 0.01062 0.41853 8.51064
7 3OND ADN 0.01062 0.41853 8.51064
8 2O4C NAD 0.01088 0.40224 15.6028
9 3VY6 BGC BGC 0.000000001046 0.43246 35.461
10 4ZNO SUC 0.00000008693 0.41816 39.0071
11 2GUC MAN 0.000000001444 0.83434 48.3607
12 2HYQ MAN MAN 0.000000001739 0.45414 48.3607
13 2GUD MAN 0.000000001113 0.43215 48.3607
14 2NU5 NAG 0.000000001233 0.43141 48.3607
15 2HYR BGC GLC 0.000000001545 0.43037 48.3607
16 2NUO BGC 0.000000001622 0.4279 48.3607
17 2GUD BMA 0.000000002022 0.42674 48.3607
Pocket No.: 2; Query (leader) PDB : 2BMZ; Ligand: XLM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2bmz.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2BMZ; Ligand: XLM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2bmz.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2BMZ; Ligand: XLM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2bmz.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2BMZ; Ligand: XLM; Similar sites found: 1
This union binding pocket(no: 5) in the query (biounit: 2bmz.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4AT0 FAD 0.04615 0.41335 5.67376
Pocket No.: 6; Query (leader) PDB : 2BMZ; Ligand: XLM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2bmz.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2BMZ; Ligand: XLM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2bmz.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2BMZ; Ligand: XLM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2bmz.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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