Receptor
PDB id Resolution Class Description Source Keywords
1JXN 2.3 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE LECTIN I FROM ULEX EUROPAEUS IN COMPLEX WITH THE METHYL GLYCOSIDE OF ALPHA-L-FUCOSE ULEX EUROPAEUS LEGUME LECTIN FUCOSE-SPECIFIC LECTIN UE-I UEA-I SUGAR BINDING PROTEIN
Ref.: EXAMINATION OF THE STRUCTURAL BASIS FOR O(H) BLOOD GROUP SPECIFICITY BY ULEX EUROPAEUS LECTIN I CAN.J.CHEM. V. 80 1010 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:246;
B:246;
C:246;
D:246;
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:501;
B:602;
C:703;
D:804;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
178.183 C7 H14 O5 C[C@H...
MN A:245;
B:245;
C:245;
D:245;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
MRD C:901;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JXN 2.3 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE LECTIN I FROM ULEX EUROPAEUS IN COMPLEX WITH THE METHYL GLYCOSIDE OF ALPHA-L-FUCOSE ULEX EUROPAEUS LEGUME LECTIN FUCOSE-SPECIFIC LECTIN UE-I UEA-I SUGAR BINDING PROTEIN
Ref.: EXAMINATION OF THE STRUCTURAL BASIS FOR O(H) BLOOD GROUP SPECIFICITY BY ULEX EUROPAEUS LECTIN I CAN.J.CHEM. V. 80 1010 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
50% Homology Family (59)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 5T54 Kd = 0.87 nM A2G GLA FUC n/a n/a
2 5T5J Kd = 0.73 nM ACA SER SER VAL GLY A2G n/a n/a
3 5T52 Kd = 0.54 nM NGA C8 H15 N O6 CC(=O)N[C@....
4 5T5L Kd = 0.73 nM ACE SER SER VAL GLY A2G n/a n/a
5 5T5P Kd = 0.71 nM ACE SER THR VAL GLY A2G n/a n/a
6 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
7 1S1A - MAN MMA n/a n/a
8 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
9 1N3Q - GLC BDF n/a n/a
10 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN NAG n/a n/a
11 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
12 1N3P - GLC FRU n/a n/a
13 2ARX - MAN MAN n/a n/a
14 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
15 1LED - FUC GAL MAG FUC n/a n/a
16 1GSL - FUC GAL MAG FUC n/a n/a
17 1V00 - LAT C12 H22 O11 C([C@@H]1[....
18 3N3H - CIT C6 H8 O7 C(C(=O)O)C....
19 3N36 - GLA C6 H12 O6 C([C@@H]1[....
20 1AX0 Ka = 1340 M^-1 A2G C8 H15 N O6 CC(=O)N[C@....
21 1UZY - GAL BGC n/a n/a
22 1LTE - BGC GAL n/a n/a
23 1AX1 Ka = 1940 M^-1 BGC GAL n/a n/a
24 1AX2 Ka = 9730 M^-1 NDG GAL n/a n/a
25 1GZC Kd = 0.32 mM LAT C12 H22 O11 C([C@@H]1[....
26 3N35 - A2G C8 H15 N O6 CC(=O)N[C@....
27 1AXZ Ka = 1570 M^-1 GAL C6 H12 O6 C([C@@H]1[....
28 1GZ9 Kd = 0.31 mM FUC LAT n/a n/a
29 3ZYR Kd = 4.6 uM ASN NAG NAG BMA MAN MAN NAG NAG n/a n/a
30 3ZVX - MAN MAN MAN n/a n/a
31 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
32 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
33 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
34 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
35 4WV8 - LBT C12 H22 O11 C([C@@H]1[....
36 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
37 4U36 - TNR C11 H20 N2 O8 CC(=O)N[C@....
38 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
39 3WCS - MAN NAG GAL n/a n/a
40 3WOG - MAN NAG n/a n/a
41 5EYX - MDM C13 H24 O11 CO[C@@H]1[....
42 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
43 2BQP - GLC C6 H12 O6 C([C@@H]1[....
44 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
45 2DVA - GAL MGC n/a n/a
46 2DV9 - GAL GAL n/a n/a
47 1V6K - GAL GLC n/a n/a
48 1V6L - GAL BGC n/a n/a
49 2DVD - GAL GAL n/a n/a
50 2TEP - GAL NGA n/a n/a
51 2DVB - GAL C6 H12 O6 C([C@@H]1[....
52 1V6I - GAL GLC n/a n/a
53 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
54 1G9F - GAL NAG GAL NAG GAL n/a n/a
55 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
56 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
57 2ZMK - GLA EGA n/a n/a
58 2D3S - TNR C11 H20 N2 O8 CC(=O)N[C@....
59 2FMD - MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MFU; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 MFU 1 1
2 MFB 1 1
3 FSW 0.5 0.827586
4 MBG 0.410256 0.727273
5 MMA 0.410256 0.727273
6 GYP 0.410256 0.727273
7 AMG 0.410256 0.727273
8 2M5 0.4 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JXN; Ligand: MFU; Similar sites found: 24
This union binding pocket(no: 1) in the query (biounit: 1jxn.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NV8 MEQ 0.04371 0.40069 2.06612
2 5AOA PPI 0.005128 0.40104 2.47934
3 2VZ6 FEF 0.01055 0.41383 2.89256
4 5O4J SAH 0.02794 0.41684 3.28467
5 5O4J 9KH 0.02794 0.41684 3.28467
6 5BUK FAD 0.02385 0.43223 3.30579
7 3S1S SAH 0.03227 0.40138 3.30579
8 1PN0 FAD 0.04922 0.41512 3.71901
9 3RFV NAI 0.01471 0.42599 4.13223
10 3RFV 15L 0.03835 0.4028 4.13223
11 1VJT NAD 0.01079 0.42312 4.95868
12 3QWI CUE 0.0359 0.41955 4.95868
13 5DX1 SFG 0.03061 0.40615 4.95868
14 1UP7 NAD 0.03674 0.40164 4.95868
15 2QA1 FAD 0.03637 0.41204 5.3719
16 1WY7 SAH 0.007494 0.43379 6.28019
17 3PVW QRX 0.02832 0.40883 6.61157
18 1T3Q MCN 0.04187 0.40903 7.43802
19 4EHU ANP 0.01072 0.42911 7.85124
20 5G5G FAD 0.04094 0.41567 8.29694
21 2CXS F6P 0.02396 0.40704 8.67769
22 1OBB NAD 0.02935 0.40645 8.67769
23 1N4W FAD 0.04877 0.41169 9.09091
24 2HW1 ANP 0.0284 0.40251 11.5702
Pocket No.: 2; Query (leader) PDB : 1JXN; Ligand: MFU; 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: 1jxn.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JXN; Ligand: MFU; Similar sites found: 21
This union binding pocket(no: 3) in the query (biounit: 1jxn.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HBN UDP 0.01569 0.40855 None
2 2CVQ NDP 0.02531 0.41423 2.89256
3 4NTD FAD 0.04195 0.41336 2.89256
4 4I6G FAD 0.02514 0.41149 2.89256
5 3CV7 C2U 0.0459 0.40858 3.30579
6 3CV7 NAP 0.04427 0.40858 3.30579
7 1FQK GDP 0.02196 0.40886 4.13223
8 1P31 EPU 0.02569 0.40306 4.13223
9 4CQM NAP 0.03013 0.41098 4.54545
10 1RKX NAD 0.0188 0.42282 4.95868
11 4GU5 FAD 0.02373 0.41515 4.95868
12 1NW5 SAM 0.01329 0.41583 5.3719
13 3T34 GDP 0.03201 0.40138 5.3719
14 2J07 FAD 0.01641 0.44227 5.78512
15 2IYA UDP 0.01317 0.41143 5.78512
16 1R27 MGD 0.04347 0.40949 7.85124
17 4R8L ASP 0.009887 0.41119 8.67769
18 5EYP GDP 0.0269 0.41142 12.426
19 5EYP GTP 0.03813 0.4044 12.426
20 1OJ4 ANP 0.01293 0.41588 12.8099
21 4P6G 2FZ 0.01749 0.40009 12.8319
Pocket No.: 4; Query (leader) PDB : 1JXN; Ligand: MFU; 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: 1jxn.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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