Receptor
PDB id Resolution Class Description Source Keywords
4U36 1.4 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A SEED LECTIN FROM VATAIREA MACROCARPA WITH TN-ANTIGEN VATAIREA MACROCARPA LECTIN LEGUME DALBERGIEAE TN-ANTIGEN SUGAR BINDING PROTE
Ref.: HIGH-RESOLUTION STRUCTURE OF A NEW TN ANTIGEN-BINDI FROM VATAIREA MACROCARPA AND A COMPARATIVE ANALYSIS TN-BINDING LEGUME LECTINS. INT.J.BIOCHEM.CELL BIOL. V. 59C 103 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:302;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
SO4 A:305;
A:303;
A:304;
A:306;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
CIT A:307;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
MN A:301;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
SER A2G A:308;
Valid;
none;
submit data
308.287 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4U36 1.4 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A SEED LECTIN FROM VATAIREA MACROCARPA WITH TN-ANTIGEN VATAIREA MACROCARPA LECTIN LEGUME DALBERGIEAE TN-ANTIGEN SUGAR BINDING PROTE
Ref.: HIGH-RESOLUTION STRUCTURE OF A NEW TN ANTIGEN-BINDI FROM VATAIREA MACROCARPA AND A COMPARATIVE ANALYSIS TN-BINDING LEGUME LECTINS. INT.J.BIOCHEM.CELL BIOL. V. 59C 103 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4WV8 - GLC GAL n/a n/a
2 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
3 4U36 - SER A2G n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 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 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
5 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
6 4WV8 - GLC GAL n/a n/a
7 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
8 4U36 - SER A2G n/a n/a
50% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5T55 Kd = 0.68 nM BGC GAL GLA NGA n/a n/a
2 5T54 Kd = 0.87 nM GLA FUC A2G 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 - MMA MAN n/a n/a
9 2ARB Ka = 26000 M^-1 MAN NAG n/a n/a
10 1N3Q - FRU GLC n/a n/a
11 2AR6 Ka = 63000 M^-1 MAN MAN MAN NAG 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 - MAG GAL FUC FUC n/a n/a
17 1GSL - MAG FUC GAL FUC n/a n/a
18 1V00 - BGC GAL n/a n/a
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 - BGC GAL 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 BGC GAL n/a n/a
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 BGC GAL FUC n/a n/a
30 3ZYR Kd = 4.6 uM NAG ASN NAG BMA MAN MAN NAG NAG n/a n/a
31 3ZVX - MAN MAN MAN n/a n/a
32 5U38 - MMA MAN n/a n/a
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 - GLC GAL n/a n/a
38 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
39 4U36 - SER A2G n/a n/a
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 - MMA MAN n/a n/a
44 5EYY - MMA MAN n/a n/a
45 2BQP - GLC C6 H12 O6 C([C@@H]1[....
46 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
47 2DVA - MGC GAL n/a n/a
48 6VC4 Kd = 360 uM QWG C22 H37 N3 O14 S2 CO[C@@H]1[....
49 6VGF Kd = 180 uM WA3 C42 H68 N6 O27 S4 c1c(nnn1C[....
50 2DV9 - GAL GAL n/a n/a
51 1V6K - GLC GAL n/a n/a
52 1V6L - BGC GAL n/a n/a
53 2DVD - GAL GAL n/a n/a
54 6VC3 Kd = 482 uM QWJ C15 H24 O9 S2 C#CCSC[C@@....
55 2TEP - NGA GAL n/a n/a
56 6V95 Kd = 495 uM QSG C32 H48 N10 O20 c1c(nnn1[C....
57 6VAV Kd = 690 uM QTY C32 H48 N10 O16 c1c(nnn1[C....
58 2DVB - GAL C6 H12 O6 C([C@@H]1[....
59 1V6I - GLC GAL n/a n/a
60 6VAW Kd = 1563 uM S3W C20 H33 N5 O12 CO[C@@H]1[....
61 2PEL Ki = 1.37 mM BGC GAL n/a n/a
62 1G9F - GAL NAG GAL NAG GAL n/a n/a
63 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
64 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
65 2ZMK - EGA GLA n/a n/a
66 2D3S - SER A2G n/a n/a
67 2FMD - MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SER A2G; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 SER A2G 1 1
2 3YW 0.683333 0.877551
3 TNR 0.650794 0.979592
4 SER MAN 0.6 0.836735
5 2F8 0.559322 0.823529
6 MAG 0.559322 0.823529
7 GN1 0.548387 0.728814
8 NG1 0.548387 0.728814
9 GAL NAG 0.536232 0.843137
10 GYU 0.507246 0.839286
11 A2G THR GAL NAG 0.488636 0.886792
12 NDG NAG 0.486111 0.849057
13 A2G SER GAL 0.474359 0.960784
14 MBG A2G 0.472222 0.811321
15 MAN NAG 0.471429 0.843137
16 GAL NGA 0.465753 0.826923
17 ACE SER SER VAL GLY A2G 0.460674 0.854545
18 A2G NAG 0.458333 0.865385
19 MBG NAG 0.458333 0.811321
20 GDL NAG 0.458333 0.865385
21 AMU NAG 0.45679 0.867925
22 A2G GAL NAG 0.45679 0.865385
23 NGA THR GAL NAG 0.450549 0.886792
24 HD4 0.448718 0.75
25 6ZC 0.447368 0.692308
26 LEC 0.447368 0.692308
27 57S 0.443038 0.75
28 GYT 0.435897 0.770492
29 NAG NAG NAG NAG NAG 0.434211 0.849057
30 NDG NAG NAG NAG NAG 0.434211 0.849057
31 NAG NAG NAG NAG NAG NAG 0.434211 0.849057
32 NAG NAG NAG NAG NAG NAG NAG NAG 0.434211 0.849057
33 NAG AH0 0.430233 0.807018
34 A2G 0.42623 0.816327
35 NAG 0.42623 0.816327
36 HSQ 0.42623 0.816327
37 BM3 0.42623 0.816327
38 NDG 0.42623 0.816327
39 NGA 0.42623 0.816327
40 GAL NGA A2G 0.423077 0.865385
41 Z3Q NGA 0.421687 0.770492
42 AH0 NAG 0.421687 0.775862
43 NAG NGO 0.419753 0.821429
44 BGC GAL NGA 0.417722 0.843137
45 3QL 0.417722 0.803571
46 AMV NAG AMU NAG 0.41573 0.851852
47 BMX BMX BMX BM3 0.414634 0.766667
48 NM9 NAG 0.414634 0.851852
49 MAN MAN NAG 0.414634 0.846154
50 ACA SER SER VAL GLY A2G 0.411765 0.844828
51 MMA MAN NAG 0.407407 0.811321
52 GAL FUC A2G 0.402439 0.826923
53 BMA MAN NAG 0.402439 0.843137
Similar Ligands (3D)
Ligand no: 1; Ligand: SER A2G; Similar ligands found: 3
No: Ligand Similarity coefficient
1 PDA 0.8615
2 PLI 0.8560
3 0JO 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4U36; Ligand: SER A2G; 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: 4u36.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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