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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 510 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 391 families.
1 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
50% Homology Family (61)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5T55 Kd = 0.68 nM NGA GLA GAL BGC n/a n/a
2 5T54 Kd = 0.87 nM A2G GLA FUC n/a n/a
3 5T5J Kd = 0.73 nM ACA SER SER VAL GLY A2G n/a n/a
4 5T52 Kd = 0.54 nM NGA C8 H15 N O6 CC(=O)N[C@....
5 5T5L Kd = 0.73 nM ACE SER SER VAL GLY A2G n/a n/a
6 5T5P Kd = 0.71 nM ACE SER THR VAL GLY A2G n/a n/a
7 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
8 1S1A - MAN MMA n/a n/a
9 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
10 1N3Q - GLC BDF n/a n/a
11 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN NAG n/a n/a
12 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
13 1N3P - GLC FRU n/a n/a
14 2ARX - MAN MAN n/a n/a
15 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
16 1LED - FUC GAL MAG FUC n/a n/a
17 1GSL - FUC GAL MAG FUC n/a n/a
18 1V00 - LAT C12 H22 O11 C([C@@H]1[....
19 3N3H - CIT C6 H8 O7 C(C(=O)O)C....
20 3N36 - GLA C6 H12 O6 C([C@@H]1[....
21 1AX0 Ka = 1340 M^-1 A2G C8 H15 N O6 CC(=O)N[C@....
22 1UZY - GAL BGC n/a n/a
23 1LTE - BGC GAL n/a n/a
24 1AX1 Ka = 1940 M^-1 BGC GAL n/a n/a
25 1AX2 Ka = 9730 M^-1 NDG GAL n/a n/a
26 1GZC Kd = 0.32 mM LAT C12 H22 O11 C([C@@H]1[....
27 3N35 - A2G C8 H15 N O6 CC(=O)N[C@....
28 1AXZ Ka = 1570 M^-1 GAL C6 H12 O6 C([C@@H]1[....
29 1GZ9 Kd = 0.31 mM FUC LAT n/a n/a
30 3ZYR Kd = 4.6 uM ASN NAG NAG BMA MAN MAN NAG NAG n/a n/a
31 3ZVX - MAN MAN MAN n/a n/a
32 5U38 - MDM C13 H24 O11 CO[C@@H]1[....
33 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
34 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
35 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
36 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
37 4WV8 - LBT C12 H22 O11 C([C@@H]1[....
38 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
39 4U36 - TNR C11 H20 N2 O8 CC(=O)N[C@....
40 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
41 3WCS - MAN NAG GAL n/a n/a
42 3WOG - MAN NAG n/a n/a
43 5EYX - MDM C13 H24 O11 CO[C@@H]1[....
44 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
45 2BQP - GLC C6 H12 O6 C([C@@H]1[....
46 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
47 2DVA - GAL MGC n/a n/a
48 2DV9 - GAL GAL n/a n/a
49 1V6K - GAL GLC n/a n/a
50 1V6L - GAL BGC n/a n/a
51 2DVD - GAL GAL n/a n/a
52 2TEP - GAL NGA n/a n/a
53 2DVB - GAL C6 H12 O6 C([C@@H]1[....
54 1V6I - GAL GLC n/a n/a
55 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
56 1G9F - GAL NAG GAL NAG GAL n/a n/a
57 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
58 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
59 2ZMK - GLA EGA n/a n/a
60 2D3S - TNR C11 H20 N2 O8 CC(=O)N[C@....
61 2FMD - 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 : 1JXN; Ligand: MFU; Similar sites found with APoc: 49
This union binding pocket(no: 1) in the query (biounit: 1jxn.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5NUE NAD 1.65289
2 1WUR 8DG 1.81818
3 1NV8 MEQ 2.06612
4 4CS9 AMP 2.1164
5 5JIC ADP 2.47934
6 5JIC N7E 2.47934
7 5OVX AY5 2.47934
8 4EU7 COA 2.47934
9 4EU7 CIT 2.47934
10 5N5U 7N8 2.47934
11 2VVG ADP 2.47934
12 5AOA PPI 2.47934
13 5TUF FAD 2.89256
14 2VZ6 FEF 2.89256
15 1YKJ FAD 2.89256
16 1GOJ ADP 2.89256
17 5BUK FAD 3.30579
18 3S1S SAH 3.30579
19 1PN0 IPH 3.71901
20 1PN0 FAD 3.71901
21 3QPB R1P 3.71901
22 3RFV NAI 4.13223
23 3RFV 15L 4.13223
24 4CQM NAP 4.54545
25 2WW5 CHT 4.54545
26 5XFH NAG MAN BMA MAN NAG GAL 4.82759
27 1VJT NAD 4.95868
28 3QWI CUE 4.95868
29 5DX1 SFG 4.95868
30 1UP7 NAD 4.95868
31 1H65 GDP 5.18518
32 2QA1 FAD 5.3719
33 5FUB SAH 5.78512
34 1WY7 SAH 6.28019
35 1A8R GTP 6.33484
36 3PVW QRX 6.61157
37 4AKB GAL 6.76692
38 1T3Q MCN 7.43802
39 4EHU ANP 7.85124
40 5G5G FAD 8.29694
41 2CXS F6P 8.67769
42 1OBB NAD 8.67769
43 2HHP FLC 9.09091
44 5F2T PLM 9.50413
45 5GZK BGC 9.50413
46 6E1Q CFA 11.5702
47 2HW1 ANP 11.5702
48 4B5W PYR 12.3967
49 5H20 GLC 12.6126
Pocket No.: 2; Query (leader) PDB : 1JXN; Ligand: MFU; Similar sites found with APoc: 50
This union binding pocket(no: 2) in the query (biounit: 1jxn.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3HBN UDP None
2 1ZCB GDP None
3 1GUZ NAD None
4 4WOP CTP 0.888889
5 6GCB GSH 1.23967
6 2VAR ANP 2.06612
7 5HWO HMG 2.06612
8 4ZLA BES 2.06612
9 5YRF GLC GLC 2.11268
10 5UC1 486 2.25225
11 1GEG NAD 2.47934
12 3BF1 ADP 2.89256
13 1J54 TMP 3.22581
14 4ZGR NGA GAL 3.30579
15 5E9W SAH 3.71901
16 1U2Z SAH 3.71901
17 3R35 4CO 3.97351
18 2OM2 GDP 4.13223
19 1GOT GDP 4.13223
20 1U9Q 186 4.18605
21 3VY6 BGC BGC 4.25532
22 6ER9 NAP 4.54545
23 6AM8 PLT 4.54545
24 4I42 1HA 4.54545
25 3ZEI AWH 4.54545
26 2E5V FAD 4.95868
27 5TVF CGQ 4.95868
28 1RKX NAD 4.95868
29 2GU8 796 5.3719
30 2ISJ FMN 5.65217
31 2J07 HDF 5.78512
32 2J07 FAD 5.78512
33 1LAN LEU 6.19835
34 1WN3 HXC 6.61765
35 1QAW TRP 6.75676
36 4QYS PLR 7.02479
37 3H8G BES 7.02479
38 5YRI GLC GLC 7.74648
39 1R27 MGD 7.85124
40 4K4D HFQ 8.0292
41 2OL1 UMP 8.16327
42 3W8X FTK 8.26446
43 3W8X FAD 8.26446
44 5XNC MTA 8.26446
45 4XDA ADP 8.67769
46 5EVY FAD 10.3306
47 3IAE D7K 10.3306
48 5K4W THR 11.9835
49 4P6G 2FZ 12.8319
50 5W7B MYR 17.7305
Pocket No.: 3; Query (leader) PDB : 1JXN; Ligand: MFU; Similar sites found with APoc: 24
This union binding pocket(no: 3) in the query (biounit: 1jxn.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3NUG NAD 1.65289
2 5DNC ASN 2.47934
3 2CVQ NDP 2.89256
4 4NTD FAD 2.89256
5 4I6G FAD 2.89256
6 3CV7 NAP 3.30579
7 3CV7 C2U 3.30579
8 6BQ6 TER 3.71901
9 1FQK GDP 4.13223
10 1P31 EPU 4.13223
11 4GU5 FAD 4.95868
12 1NW5 SAM 5.3719
13 3T34 GDP 5.3719
14 6B3V ANP 5.78512
15 2IYA UDP 5.78512
16 3F6D GTX 8.21918
17 4R8L ASP 8.67769
18 4XDA RIB 8.67769
19 4J56 FAD 9.91736
20 5DKK FMN 11.7241
21 5EYP GDP 12.426
22 5EYP GTP 12.426
23 1OJ4 ANP 12.8099
24 1FFU CDP 14.4628
Pocket No.: 4; Query (leader) PDB : 1JXN; Ligand: MFU; Similar sites found with APoc: 36
This union binding pocket(no: 4) in the query (biounit: 1jxn.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5LAU AR6 0.961538
2 4LTN NAI 1.01523
3 4LTN FMN 1.01523
4 2GQT FAD 1.65289
5 4AUT FAD 2.06612
6 1G60 SAM 2.06612
7 6MPT C30 2.47934
8 1MXI SAH 2.5
9 3LU1 NAD 2.89256
10 5FSY AR6 2.89256
11 1RKD ADP 2.89256
12 1RKD RIB 2.89256
13 3EFS BTN 3.00429
14 1ATL 0QI 3.46535
15 3LF0 ATP 3.50877
16 1Q0R AKT 4.13223
17 1W85 TDP 4.95868
18 1VPE ANP 4.95868
19 4PTZ FMN 5.2356
20 16PK BIS 5.3719
21 2ZIF SAM 5.3719
22 3GPO APR 5.95238
23 1QO8 FAD 6.19835
24 2G37 FAD 6.61157
25 3ZNR NU9 6.61157
26 1OZH HE3 7.02479
27 3IES M24 7.43802
28 4IXH IMP 9.09091
29 2NU5 NAG 9.83607
30 4TX6 38B 9.91736
31 3OFK SAH 12.037
32 4IQY AR6 12.5
33 4ZY1 4U5 14.0496
34 1LLO NAA NAA AMI 15.3846
35 2FYU FDN 17.8571
36 2ZYI STE 19.0083
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