Receptor
PDB id Resolution Class Description Source Keywords
5T7P 2.16 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF PISUM ARVENSE LECTIN (PAL) COMPLEXED WI PISUM SATIVUM PISUM ARVENSE LECTIN PAL X-MAN. SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF PISUM ARVENSE SEED LECTIN (PAL CHARACTERIZATION OF ITS INTERACTION WITH CARBOHYDRA MOLECULAR DOCKING AND DYNAMICS. ARCH. BIOCHEM. BIOPHYS. V. 630 27 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XMM B:303;
A:303;
Valid;
Valid;
none;
none;
submit data
408.629 C14 H15 Br Cl N O6 c1cc(...
CA A:302;
B:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MN A:301;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BQP 1.9 Å NON-ENZYME: BINDING THE STRUCTURE OF THE PEA LECTIN-D-GLUCOPYRANOSE COMPLEX PISUM SATIVUM PEA LECTIN D-GLUCOPYRANOSE COMPLEX SUGAR BINDING PROTEIN
Ref.: THE STRUCTURE OF PEA LECTIN-D-GLUCOPYRANOSE COMPLEX AT A 1.9 A RESOLUTION RUSS.J.BIOORGANIC CHEM. V. 23 469 1997
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2BQP - GLC C6 H12 O6 C([C@@H]1[....
2 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2BQP - GLC C6 H12 O6 C([C@@H]1[....
2 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
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: XMM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 XMM 1 1
2 CWK 0.414634 0.740741
3 56N 0.405797 0.647059
4 GAT 0.4 0.654545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BQP; Ligand: GLC; Similar sites found: 55
This union binding pocket(no: 1) in the query (biounit: 2bqp.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2NU5 NAG 0.00000005649 0.64418 None
2 2GUC MAN 0.00000004375 0.64005 None
3 2GUD MAN 0.00000004582 0.63784 None
4 2NUO BGC 0.0000001097 0.6332 None
5 2HYR BGC GLC 0.00000008014 0.63134 None
6 2GUD BMA 0.0000008062 0.5719 None
7 2GUE NAG 0.0000008854 0.52286 None
8 2HYQ MAN MAN 0.000005685 0.50952 None
9 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.00001725 0.45494 None
10 3HGM ATP 0.01894 0.41053 None
11 5FJN BE2 0.02694 0.42034 1.7094
12 5FJN FAD 0.02528 0.42034 1.7094
13 1JXZ BCA 0.03095 0.40802 1.7094
14 1X7D NAD 0.01517 0.42802 2.13675
15 1X7D ORN 0.02308 0.4258 2.13675
16 5AR0 GB8 0.02041 0.40751 2.13675
17 4C3Y FAD 0.02693 0.42009 2.5641
18 4ZNO SUC 0.000004169 0.56118 2.99145
19 2Y4O DLL 0.002308 0.46053 2.99145
20 3UCL NAP 0.03427 0.4316 2.99145
21 3UCL CYH 0.03222 0.4316 2.99145
22 3UCL FAD 0.03222 0.4316 2.99145
23 1C4U IH1 0.04318 0.41688 3.4188
24 3ACL 3F1 0.02208 0.40546 3.4188
25 5X20 NAD 0.02666 0.40607 3.84615
26 5XDT ZI7 0.02518 0.40277 4.22078
27 1XHL NDP 0.04791 0.41989 4.2735
28 3C6K SPD 0.02315 0.4176 4.2735
29 3C6K MTA 0.02315 0.4176 4.2735
30 3ICS FAD 0.02273 0.42372 4.70085
31 2CUN 3PG 0.002326 0.42764 5.55556
32 3BY8 MLT 0.003423 0.42543 5.6338
33 5TQZ GLC 0.000006316 0.55364 6
34 2F5Z FAD 0.04256 0.41006 6.41026
35 4UP3 FAD 0.02713 0.43066 6.83761
36 4UP3 NDP 0.0168 0.41398 6.83761
37 1LDN NAD 0.04147 0.40368 6.83761
38 1ELI PYC 0.001631 0.48501 8.11966
39 1D4D FAD 0.02442 0.42915 8.11966
40 3CIF NAD 0.04414 0.40107 8.35655
41 3RYC GDP 0.002986 0.45584 8.97436
42 5EYP GDP 0.004228 0.44994 8.97436
43 4LNU GDP 0.004079 0.44452 8.97436
44 4LNU GTP 0.008322 0.43282 8.97436
45 5EYP GTP 0.01914 0.41863 8.97436
46 5FPE 3TR 0.01557 0.406 8.97436
47 3VY6 BGC BGC 0.00000005082 0.64499 9.21986
48 5GM9 CBK 0.02729 0.41825 9.38967
49 1BXG HCI 0.01598 0.401 9.82906
50 1NLU IVA PHI TYB 0.02583 0.40041 10.6838
51 1D6S MET PLP 0.04175 0.40037 11.1111
52 3CR3 ADP 0.01276 0.42606 11.5702
53 3CB2 GDP 0.007058 0.42839 13.2479
54 2IVF MGD 0.02499 0.429 14.5299
55 2DUR MAN MAN 0.00000007716 0.67007 15.812
Pocket No.: 2; Query (leader) PDB : 2BQP; Ligand: GLC; 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: 2bqp.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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