Receptor
PDB id Resolution Class Description Source Keywords
2ARB 1.8 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (PAL) IN COMPLEX WITH THE GLCN 2)MAN DISACCHARIDE PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE RECOGNITION SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF COMPLEX-TYP BIANTENNARY OLIGOSACCHARIDES BY PTEROCARPUS ANGOLEN LECTIN. FEBS J. V. 273 2407 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:263;
B:264;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MN A:261;
B:262;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
NAG MAN A:253;
B:253;
Valid;
Valid;
none;
none;
Ka = 26000 M^-1
381.334 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AR6 1.8 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (PAL) IN COMPLEX WITH THE PENTASACCHARIDE M592 PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE RECOGNITION SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF COMPLEX-TYP BIANTENNARY OLIGOSACCHARIDES BY PTEROCARPUS ANGOLEN LECTIN. FEBS J. V. 273 2407 2006
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1S1A - MAN MMA n/a n/a
2 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
3 1N3Q - GLC BDF n/a n/a
4 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN NAG n/a n/a
5 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
6 1N3P - GLC FRU n/a n/a
7 2ARX - MAN MAN n/a n/a
8 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 1S1A - MAN MMA n/a n/a
2 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
3 1N3Q - GLC BDF n/a n/a
4 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN NAG n/a n/a
5 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
6 1N3P - GLC FRU n/a n/a
7 2ARX - MAN MAN n/a n/a
8 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
9 3ZYR Kd = 4.6 uM ASN NAG NAG BMA MAN MAN NAG NAG n/a n/a
10 3ZVX - MAN MAN MAN n/a n/a
11 5U38 - MDM C13 H24 O11 CO[C@@H]1[....
12 5EYX - MDM C13 H24 O11 CO[C@@H]1[....
13 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
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: NAG MAN; Similar ligands found: 111
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG MAN 1 1
2 MAG 0.557377 0.857143
3 2F8 0.557377 0.857143
4 CBS 0.542857 0.938776
5 NDG NAG 0.542857 0.938776
6 CBS CBS 0.542857 0.938776
7 NAG GDL 0.542857 0.938776
8 A2G MBG 0.535211 0.918367
9 MBG A2G 0.535211 0.918367
10 NAG GAL 0.528571 0.957447
11 GAL NAG 0.528571 0.957447
12 NGA GAL 0.527778 0.897959
13 NAG NGA 0.521127 0.938776
14 NAG MBG 0.521127 0.918367
15 NAG A2G 0.521127 0.938776
16 CTO 0.513514 0.959184
17 NAG NAG NDG NAG 0.513514 0.959184
18 NAG NAG NAG NAG NAG NAG NAG NAG 0.513514 0.959184
19 NAG NAG NDG 0.513514 0.959184
20 NAG NAG NAG NAG NAG 0.513514 0.959184
21 NAG NDG 0.513514 0.849057
22 NDG NAG NAG 0.513514 0.959184
23 NDG NAG NAG NAG 0.513514 0.959184
24 NAG NAG NAG NAG NAG NAG 0.513514 0.959184
25 NAG NAG 0.513514 0.849057
26 NDG NAG NAG NDG 0.513514 0.959184
27 NAG NAG NAG NDG 0.513514 0.959184
28 NAG NAG NAG NAG NDG 0.513514 0.959184
29 NGA GAL BGC 0.513158 0.957447
30 GN1 0.5 0.785714
31 NGT NAG 0.5 0.779661
32 NG1 0.5 0.785714
33 3QL 0.493506 0.867925
34 NAG GAL NAG 0.4875 0.938776
35 NAG GAL BGC 0.4875 0.957447
36 NAG NAG NAG NAG 0.4875 0.886792
37 NAG NAG NAG 0.4875 0.886792
38 GAL NGA A2G 0.480519 0.938776
39 A2G GAL FUC 0.475 0.9375
40 NGA GAL FUC 0.475 0.9375
41 FUC GAL A2G 0.475 0.9375
42 A2G GLA FUC 0.475 0.9375
43 FUC GLA A2G 0.475 0.9375
44 DLD 0.46988 0.779661
45 NAG NM9 0.469136 0.921569
46 NAG MAN BMA 0.468354 0.957447
47 TNR 0.465753 0.862745
48 NAG NAG NGT 0.465116 0.79661
49 3YW 0.464789 0.875
50 Z4S NAG NAG 0.464286 0.886792
51 NAG MAN MMA 0.4625 0.918367
52 NGA GLA GAL BGC 0.458824 0.957447
53 NAG AMU 0.457831 0.94
54 NAG MUB 0.457831 0.94
55 MAN MAN NAG 0.451219 0.918367
56 6Y2 0.448276 0.734375
57 NOJ NAG NAG 0.447059 0.821429
58 NOJ NAG NAG NAG 0.447059 0.839286
59 GYU 0.445946 0.77193
60 NAG MAN MAN 0.445783 0.957447
61 AH0 NAG 0.440476 0.87037
62 AO3 0.434783 0.723077
63 NAA NAA AMI 0.434783 0.723077
64 FUC BGC GAL NAG 0.433333 0.9375
65 HD4 0.432099 0.775862
66 BMA Z4Y NAG 0.431818 0.9375
67 LEC NGA 0.431818 0.734375
68 LEC 0.43038 0.714286
69 6ZC 0.43038 0.714286
70 BGC FUC GAL FUC A2G 0.428571 0.958333
71 GLC FUC GAL FUC A2G 0.428571 0.958333
72 MA8 0.428571 0.811321
73 GUM 0.425532 0.839286
74 FUC GAL NAG A2G 0.423913 0.959184
75 A2G GAL BGC FUC 0.423913 0.9375
76 A2G GAL NAG FUC 0.423913 0.959184
77 GAL LOG 0.423077 0.807018
78 BGA 0.419355 0.821429
79 8VZ 0.418919 0.92
80 NDG GAL 0.418919 0.957447
81 GAL NDG 0.418919 0.957447
82 NLC 0.418919 0.957447
83 MMA MAN NAG MAN NAG NAG 0.417582 0.94
84 NAG AMU NAG AMV 0.417582 0.921569
85 FHY 0.417582 0.886792
86 UMG 0.416667 0.839286
87 NAG AH0 0.41573 0.87037
88 SN5 SN5 0.415584 0.773585
89 FUC GAL NAG A2G FUC 0.414894 0.959184
90 NAG GAL FUC FUC A2G 0.414894 0.959184
91 GAL NAG MAN 0.414634 0.957447
92 3PV 0.413043 0.865385
93 NAG BDP NAG BDP NAG BDP NAG 0.413043 0.94
94 GAL NAG GAL 0.411765 0.918367
95 NAG MAN MAN MAN NAG 0.411111 0.938776
96 57S 0.409639 0.775862
97 GDL 0.409091 0.893617
98 NAG NAG BMA 0.406977 0.867925
99 NAG A2G GAL 0.406977 0.938776
100 NAG NDG BMA 0.406977 0.867925
101 NDG 0.40625 0.851064
102 NAG 0.40625 0.851064
103 HSQ 0.40625 0.851064
104 NGA 0.40625 0.851064
105 BM3 0.40625 0.851064
106 A2G 0.40625 0.851064
107 GYT 0.402439 0.79661
108 GAL A2G 0.4 0.957447
109 A2G GAL 0.4 0.957447
110 GAL NGA 0.4 0.957447
111 GAL MGC 0.4 0.918367
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AR6; Ligand: NAG MAN; 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: 2ar6.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2AR6; Ligand: NAG MAN MAN MAN NAG; 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: 2ar6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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