Receptor
PDB id Resolution Class Description Source Keywords
2BOI 1.1 Å NON-ENZYME: BINDING 1.1A STRUCTURE OF CHROMOBACTERIUM VIOLACEUM LECTIN CV2L IN COMPLEX WITH ALPHA-METHYL-FUCOSIDE CHROMOBACTERIUM VIOLACEUM LECTIN FUCOSE CHROMOBACTERIUM VIOLACEUM PSEUDOMONAS AERUGINOSA
Ref.: UNUSUAL ENTROPY DRIVEN AFFINITY OF CHROMOBACTER VIOLACEUM LECTIN CV-IIL TOWARDS FUCOSE AND MANNOSE BIOCHEMISTRY V. 45 7501 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:200;
A:300;
B:500;
B:600;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MFU A:400;
B:700;
Valid;
Valid;
none;
none;
ic50 = 48 uM
178.183 C7 H14 O5 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BOI 1.1 Å NON-ENZYME: BINDING 1.1A STRUCTURE OF CHROMOBACTERIUM VIOLACEUM LECTIN CV2L IN COMPLEX WITH ALPHA-METHYL-FUCOSIDE CHROMOBACTERIUM VIOLACEUM LECTIN FUCOSE CHROMOBACTERIUM VIOLACEUM PSEUDOMONAS AERUGINOSA
Ref.: UNUSUAL ENTROPY DRIVEN AFFINITY OF CHROMOBACTER VIOLACEUM LECTIN CV-IIL TOWARDS FUCOSE AND MANNOSE BIOCHEMISTRY V. 45 7501 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
2 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
70% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5MAY Kd = 0.29 uM FUL PK6 n/a n/a
2 5MB1 Kd = 0.33 uM FUL 7KT n/a n/a
3 4UT5 - GAL NAG GAL FUC n/a n/a
4 1OVS - MAN MAN n/a n/a
5 2JDU Kd = 0.19 uM MFU C7 H14 O5 C[C@H]1[C@....
6 2JDM Kd = 3.96 uM MFU C7 H14 O5 C[C@H]1[C@....
7 2JDH Kd = 310 nM FUC NAG TA5 n/a n/a
8 5A3O Kd = 18 uM MMA DH6 n/a n/a
9 1OXC - FUC C6 H12 O5 C[C@H]1[C@....
10 3ZDV Kd = 3.3 uM MMA F1A n/a n/a
11 2JDP Kd = 0.25 uM MFU C7 H14 O5 C[C@H]1[C@....
12 1W8H Ka = 47000000000 M^-1 FUC NDG GAL n/a n/a
13 1UZV Kd = 0.6667 uM FUC C6 H12 O5 C[C@H]1[C@....
14 2BP6 - GXL C6 H12 O6 C([C@H]1[C....
15 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
16 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
17 1W8F Ka = 15600000000 M^-1 FUC BGC GAL n/a n/a
18 1OUR - MAN C6 H12 O6 C([C@@H]1[....
19 2JDK Kd = 290 nM FUC NAG T45 n/a n/a
20 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
21 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
22 1OVP - BDF C6 H12 O6 C1[C@H]([C....
23 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
24 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
25 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
26 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
27 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
50% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5MAY Kd = 0.29 uM FUL PK6 n/a n/a
2 5MB1 Kd = 0.33 uM FUL 7KT n/a n/a
3 4UT5 - GAL NAG GAL FUC n/a n/a
4 1OVS - MAN MAN n/a n/a
5 2JDU Kd = 0.19 uM MFU C7 H14 O5 C[C@H]1[C@....
6 2JDM Kd = 3.96 uM MFU C7 H14 O5 C[C@H]1[C@....
7 2JDH Kd = 310 nM FUC NAG TA5 n/a n/a
8 5A3O Kd = 18 uM MMA DH6 n/a n/a
9 1OXC - FUC C6 H12 O5 C[C@H]1[C@....
10 3ZDV Kd = 3.3 uM MMA F1A n/a n/a
11 2JDP Kd = 0.25 uM MFU C7 H14 O5 C[C@H]1[C@....
12 1W8H Ka = 47000000000 M^-1 FUC NDG GAL n/a n/a
13 1UZV Kd = 0.6667 uM FUC C6 H12 O5 C[C@H]1[C@....
14 2BP6 - GXL C6 H12 O6 C([C@H]1[C....
15 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
16 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
17 1W8F Ka = 15600000000 M^-1 FUC BGC GAL n/a n/a
18 1OUR - MAN C6 H12 O6 C([C@@H]1[....
19 2JDK Kd = 290 nM FUC NAG T45 n/a n/a
20 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
21 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
22 1OVP - BDF C6 H12 O6 C1[C@H]([C....
23 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
24 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
25 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
26 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
27 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
28 2WR9 Kd = 2.6 uM MAN MAN n/a n/a
29 2VNV Kd = 2.75 uM MMA C7 H14 O6 CO[C@@H]1[....
30 2WRA Kd = 26.9 uM MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MFU; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 MFB 1 1
2 MFU 1 1
3 FSW 0.5 0.827586
4 KG1 0.452381 0.851852
5 AMG 0.410256 0.727273
6 MMA 0.410256 0.727273
7 MBG 0.410256 0.727273
8 GYP 0.410256 0.727273
9 2M5 0.4 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BOI; Ligand: MFU; 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: 2boi.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BOI; Ligand: MFU; 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: 2boi.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2BOI; Ligand: MFU; 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: 2boi.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2BOI; Ligand: MFU; 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: 2boi.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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