Receptor
PDB id Resolution Class Description Source Keywords
5KXE 2.09 Å NON-ENZYME: OTHER WISTERIA FLORIBUNDA LECTIN IN COMPLEX WITH GALNAC(BETA1-4)GL (LACDINAC) AT PH 4.2 WISTERIA FLORIBUNDA CARBOHYDRATE-BINDING PROTEIN LECTIN SUGAR BINDING PROTEIN-COMPLEX
Ref.: MOLECULAR BASIS FOR RECOGNITION OF THE CANCER GLYCOBIOMARKER, LACDINAC (GALNAC[ BETA 14]GLCNAC), WISTERIA FLORIBUNDA AGGLUTININ. J.BIOL.CHEM. V. 291 24085 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:309;
A:310;
C:306;
D:306;
B:312;
B:311;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
6Y2 B:308;
C:303;
A:306;
D:303;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 5.45 uM
545.494 C22 H31 N3 O13 CC(=O...
CA D:305;
C:305;
A:308;
B:310;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MN B:309;
C:304;
A:307;
D:304;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
NAG FUC D:301;
C:301;
Invalid;
Invalid;
none;
none;
submit data
367.351 n/a O=C(N...
SO4 B:313;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
NAG FUC NAG BMA MAN A:301;
Invalid;
none;
submit data n/a n/a n/a n/a
NAG FUC NAG BMA XYP MAN MAN B:301;
Invalid;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KXE 2.09 Å NON-ENZYME: OTHER WISTERIA FLORIBUNDA LECTIN IN COMPLEX WITH GALNAC(BETA1-4)GL (LACDINAC) AT PH 4.2 WISTERIA FLORIBUNDA CARBOHYDRATE-BINDING PROTEIN LECTIN SUGAR BINDING PROTEIN-COMPLEX
Ref.: MOLECULAR BASIS FOR RECOGNITION OF THE CANCER GLYCOBIOMARKER, LACDINAC (GALNAC[ BETA 14]GLCNAC), WISTERIA FLORIBUNDA AGGLUTININ. J.BIOL.CHEM. V. 291 24085 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
2 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
3 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
4 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
2 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
3 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
4 4WV8 - LBT C12 H22 O11 C([C@@H]1[....
5 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
6 4U36 - TNR C11 H20 N2 O8 CC(=O)N[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: 6Y2; Similar ligands found: 110
No: Ligand ECFP6 Tc MDL keys Tc
1 6Y2 1 1
2 LEC 0.767123 0.953125
3 6ZC 0.767123 0.953125
4 LEC NGA 0.753086 1
5 NDG BDP BDP NPO NDG 0.677083 1
6 NPO A2G GAL 0.597701 0.984375
7 GAL A2G NPO 0.597701 0.984375
8 GUM 0.595745 0.73913
9 UMG 0.583333 0.73913
10 A2G MBG 0.5625 0.707692
11 MBG A2G 0.5625 0.707692
12 NAG NAG NAG NAG NDG 0.560976 0.765625
13 NAG NAG NAG NAG NAG NAG NAG NAG 0.560976 0.765625
14 CTO 0.560976 0.765625
15 NAG NAG NDG NAG 0.560976 0.765625
16 NDG NAG NAG NDG 0.560976 0.765625
17 NDG NAG NAG 0.560976 0.765625
18 NAG NAG NDG 0.560976 0.765625
19 NAG NAG NAG NAG NAG 0.560976 0.765625
20 NAG NAG NAG NAG NAG NAG 0.560976 0.765625
21 NDG NAG NAG NAG 0.560976 0.765625
22 NAG NAG NAG NDG 0.560976 0.765625
23 NAG GDL 0.55 0.75
24 NDG NAG 0.55 0.75
25 CBS 0.55 0.75
26 CBS CBS 0.55 0.75
27 DLD 0.533333 0.768116
28 NPJ 0.523256 0.828125
29 NAG NAG NAG NAG 0.516854 0.720588
30 NAG NAG NAG 0.516854 0.720588
31 RCB 0.511364 0.828125
32 NAG AMU NAG AMV 0.510417 0.769231
33 NAG NAG NGT 0.494737 0.684932
34 NOJ NAG NAG NAG 0.494624 0.714286
35 NOJ NAG NAG 0.494624 0.7
36 Z4S NAG NAG 0.494624 0.720588
37 GAL NPO 0.493671 0.796875
38 NBZ GLA 0.493671 0.796875
39 MBE 0.493671 0.796875
40 PNA 0.493671 0.796875
41 PNW 0.493671 0.796875
42 147 0.493671 0.796875
43 PNG 0.493671 0.796875
44 KHP 0.493506 0.742424
45 GNS BDP GNS BDP GNS BDP NPO 0.490741 0.769231
46 NGA GAL BGC 0.488636 0.703125
47 NGA GAL 0.482353 0.666667
48 NAG MAN MMA 0.477778 0.707692
49 NAG MBG 0.47619 0.707692
50 NAG NAG 0.471264 0.691176
51 NAG NDG 0.471264 0.691176
52 MAN MAN NAG 0.467391 0.681818
53 NAG GAL NAG 0.467391 0.75
54 NAG MAN BMA 0.466667 0.703125
55 AO3 0.465347 0.675325
56 NAA NAA AMI 0.465347 0.675325
57 GAL NAG 0.464286 0.703125
58 NAG GAL 0.464286 0.703125
59 NGT NAG 0.462366 0.671233
60 NAG A2G 0.458824 0.75
61 NAG NGA 0.458824 0.75
62 PNJ 0.457831 0.846154
63 NAG NM9 0.451613 0.742424
64 GAL NAG MAN 0.450549 0.703125
65 NAG MAN 0.448276 0.734375
66 TCG 0.446809 0.742857
67 GAL NAG GAL 0.446809 0.681818
68 NAG AMU 0.442105 0.78125
69 NAG MUB 0.442105 0.78125
70 MAG 0.441558 0.661538
71 2F8 0.441558 0.661538
72 3QL 0.43956 0.705882
73 NAG BMA NAG MAN MAN NAG NAG 0.436364 0.765625
74 NAG GAL BGC 0.43617 0.703125
75 MMA MAN NAG MAN NAG NAG 0.435644 0.753846
76 GNS BDP GNS IDS GNS BDP NPO 0.434426 0.769231
77 NAG MAN MAN 0.431579 0.703125
78 NAG MAN BMA MAN NAG GAL 0.431193 0.75
79 NAG MAN MAN MAN NAG 0.43 0.75
80 GAL NGA A2G 0.428571 0.75
81 NGA GLA GAL BGC 0.428571 0.703125
82 NAG NAG BMA 0.427083 0.705882
83 AH0 NAG 0.427083 0.710145
84 NAG NDG BMA 0.427083 0.705882
85 NGB 0.423913 0.828125
86 NAG NAG BMA MAN NAG 0.423423 0.720588
87 SN5 SN5 0.420455 0.632353
88 NAG AH0 0.42 0.735294
89 GN1 0.419753 0.671429
90 NG1 0.419753 0.671429
91 JXD 0.419643 0.65
92 NAG NAG BMA MAN MAN NAG GAL NAG 0.417391 0.765625
93 FUC GAL NAG A2G 0.413462 0.765625
94 A2G GAL NAG FUC 0.413462 0.765625
95 A2G GLA FUC 0.410526 0.71875
96 NGA GAL FUC 0.410526 0.71875
97 FUC GAL A2G 0.410526 0.71875
98 A2G GAL FUC 0.410526 0.71875
99 FUC GLA A2G 0.410526 0.71875
100 NAG NAG BMA MAN MAN NAG NAG 0.410256 0.720588
101 NAG MAN BMA NDG MAN NAG GAL 0.408696 0.765625
102 NAG GAL GAL NAG GAL 0.408163 0.75
103 GAL NAG GAL NAG GAL NAG 0.408163 0.765625
104 NAG GAL GAL NAG 0.408163 0.75
105 FHY 0.407767 0.720588
106 BMA Z4Y NAG 0.405941 0.692308
107 GLC GAL NAG GAL 0.40404 0.703125
108 LAT NAG GAL 0.40404 0.703125
109 WZ5 0.401869 0.707692
110 NAG GDL PHJ 0.4 0.838235
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KXE; Ligand: 6Y2; 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: 5kxe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5KXE; Ligand: 6Y2; 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: 5kxe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5KXE; Ligand: 6Y2; 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: 5kxe.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5KXE; Ligand: 6Y2; 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: 5kxe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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