Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:363;
B:364;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MN A:361;
B:362;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
NAG MAN A:253;
Valid;
none;
submit data
383.35 n/a O=C(N...
NAG MAN MAN MAN NAG B:253;
Valid;
none;
Ka = 63000 M^-1
910.826 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 473 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 (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 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 5EYX - MDM C13 H24 O11 CO[C@@H]1[....
12 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
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: NAG MAN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG MAN 1 1
2 5AX 0.660714 0.862745
3 FUC GAL NAG A2G 0.414894 0.875
Ligand no: 2; Ligand: NAG MAN MAN MAN NAG; Similar ligands found: 138
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG MAN MAN MAN NAG 1 1
2 NAG MAN GAL MAN MAN NAG GAL 0.788235 1
3 NAG MAN MAN 0.779221 0.9375
4 NAG MAN BMA 0.779221 0.9375
5 NAG BMA NAG MAN MAN NAG NAG 0.691489 0.979592
6 NAG MAN BMA NDG MAN NAG GAL 0.663265 0.979592
7 NAG NAG BMA MAN MAN NAG NAG 0.643564 0.90566
8 MMA MAN NAG MAN NAG NAG 0.640449 0.96
9 GAL NAG 0.631579 0.9375
10 NAG GAL 0.631579 0.9375
11 NGA GAL 0.631579 0.9375
12 WZ5 0.623656 0.938776
13 NAG MAN MMA 0.614458 0.938776
14 NAG MAN GAL BMA NDG MAN NAG GAL 0.612245 0.979592
15 MAN BMA NAG NAG MAN NAG GAL GAL 0.612245 0.979592
16 NAG MAN MAN MAN NAG GAL NAG GAL 0.612245 0.979592
17 NAG MAN GAL BMA NAG MAN NAG GAL 0.612245 0.979592
18 MAN MAN NAG 0.6 0.9
19 M5G 0.592233 1
20 NAG NAG BMA MAN NAG 0.574257 0.90566
21 ASN NAG NAG BMA MAN MAN NAG NAG 0.5625 0.888889
22 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.551402 1
23 WZ4 0.542056 0.884615
24 MAN NAG 0.5375 0.9375
25 NAG NDG 0.52439 1
26 CBS CBS 0.52439 1
27 CBS 0.52439 1
28 NAG GDL 0.52439 1
29 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.509434 0.865385
30 NAG A2G 0.506024 1
31 NAG NGA 0.506024 1
32 NAG NAG NAG NAG NDG 0.5 0.979592
33 NAG NAG NAG NAG NDG NAG 0.5 0.979592
34 NAG NAG NAG NAG NAG NAG NAG NAG 0.5 0.979592
35 NDG NAG NAG NDG NAG 0.5 0.979592
36 NAG NAG NAG NAG 0.5 0.979592
37 NDG NAG NAG NAG 0.5 0.979592
38 NAG NAG NAG NAG NAG NAG 0.5 0.979592
39 3PV 0.5 0.884615
40 NAG NAG NDG 0.5 0.979592
41 NGA GAL BGC 0.5 0.9375
42 NDG NAG NAG 0.5 0.979592
43 NAG NAG NAG NAG NAG 0.5 0.979592
44 CTO 0.5 0.979592
45 NAG NAG NAG 0.5 0.979592
46 NAG NAG NAG NDG 0.5 0.979592
47 NDG NAG NAG NDG 0.5 0.979592
48 MAN MAN MAN BMA MAN MAN MAN 0.494845 0.693878
49 NAG GAL NAG 0.494505 1
50 NAG GAL BGC 0.494505 0.9375
51 NDG NAG 0.494118 0.979592
52 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.490385 0.9375
53 FUC GAL NAG GAL FUC 0.489796 0.938776
54 NAG MBG 0.488095 0.938776
55 NAG NAG BMA MAN MAN MAN MAN 0.486726 0.923077
56 BGC FUC GAL FUC A2G 0.484848 0.938776
57 GLC FUC GAL FUC A2G 0.484848 0.938776
58 NGA GLA GAL BGC 0.484211 0.9375
59 MAN MAN MAN BMA MAN 0.483516 0.6875
60 A2G GLA FUC 0.483516 0.958333
61 FUC GLA A2G 0.483516 0.958333
62 A2G GAL FUC 0.483516 0.958333
63 NGA GAL FUC 0.483516 0.958333
64 FUC GAL A2G 0.483516 0.958333
65 FUC GL0 A2G 0.483516 0.958333
66 A2G MBG 0.482353 0.938776
67 MBG A2G 0.482353 0.938776
68 NAG GAL GAL NAG GAL 0.478723 1
69 BMA MAN MAN 0.47561 0.6875
70 FUC BGC GAL NAG 0.474747 0.958333
71 NAG NAG 0.465909 0.903846
72 A2G GAL NAG FUC 0.465347 0.979592
73 A2G GAL BGC FUC 0.465347 0.958333
74 MAN MAN MAN MAN MAN MAN MAN MAN 0.460784 0.611111
75 GLC GLC GLC GLC 0.453488 0.6875
76 NAG AMU 0.452632 0.96
77 NAG MUB 0.452632 0.96
78 3QL 0.450549 0.923077
79 MAN MAN NAG MAN NAG 0.447619 1
80 NAG NAG BMA MAN MAN 0.447619 1
81 NOJ NAG NAG NAG 0.443299 0.872727
82 NOJ NAG NAG 0.443299 0.888889
83 FUC GAL NAG 0.44086 0.958333
84 NDG GAL FUC 0.44086 0.958333
85 FUC GAL NDG 0.44086 0.958333
86 DR2 0.44086 0.958333
87 FUL GAL NAG 0.44086 0.958333
88 NAG GAL 2NA 0.440367 0.833333
89 NAG NAG NAG NAG NAG NAG NAG 0.44 0.888889
90 AH0 NAG 0.4375 0.888889
91 DR3 0.43617 0.958333
92 NAG GAL FUC 0.43617 0.958333
93 M5S 0.433333 0.6875
94 MAN BMA MAN MAN MAN 0.433333 0.6875
95 DLD 0.43299 0.827586
96 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.432692 0.62963
97 GAL NAG MAN 0.430108 0.9375
98 MAN NAG GAL 0.430108 0.9375
99 NAG NGO 0.430108 0.886792
100 6Y2 0.43 0.75
101 NAG NAG NGT 0.43 0.813559
102 GLC GAL NAG GAL 0.428571 0.9375
103 NAG GAL FUC FUC A2G 0.428571 0.979592
104 FUC GAL NAG A2G FUC 0.428571 0.979592
105 NGT NAG 0.427083 0.79661
106 GLC GAL NAG GAL FUC A2G 0.424779 0.979592
107 A2G GAL NAG FUC GAL GLC 0.424779 0.979592
108 FUC GAL NAG GAL BGC 0.424528 0.958333
109 BGA 0.419048 0.807018
110 MAG 0.417722 0.877551
111 2F8 0.417722 0.877551
112 NAG BMA MAN MAN MAN MAN 0.417476 0.9375
113 NAG AMU NAG AMV 0.417476 0.941176
114 NAG NM9 0.416667 0.941176
115 LEC NGA 0.415842 0.75
116 NAG AH0 0.415842 0.888889
117 NAG BMA MAN MAN MAN MAN MAN 0.414141 0.686275
118 NAG GCU NAG GCU NAG GCU 5AX 0.413462 0.96
119 NAG BDP NAG BDP NAG BDP NAG 0.413462 0.96
120 BDZ 0.412371 0.938776
121 BCW 0.412371 0.938776
122 FUC NDG GAL FUC 0.412371 0.938776
123 FUC NAG GAL FUC 0.412371 0.938776
124 GAL NAG FUC FUC 0.412371 0.938776
125 FUC GAL NDG FUC 0.412371 0.938776
126 GAL BGC NAG GAL 0.412371 0.9375
127 FUC GAL NAG FUC 0.412371 0.938776
128 GAL NDG FUC FUC 0.412371 0.938776
129 FUC BGC GAL NAG GAL 0.407407 0.958333
130 3YW 0.406977 0.857143
131 GLA NAG GAL FUC 0.405941 0.958333
132 GAL NAG GAL FUC 0.405941 0.958333
133 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.40566 1
134 1GN ACY GAL ACY 1GN BGC GAL BGC 0.40566 1
135 GAL NAG GAL NAG GAL NAG 0.40404 0.979592
136 NAG GAL GAL NAG 0.40404 1
137 RAM GLC GAL NAG NAG GLC 0.401575 0.923077
138 SN5 SN5 0.4 0.826923
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AR6; Ligand: NAG MAN; Similar sites found: 50
This union binding pocket(no: 1) in the query (biounit: 2ar6.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TDF FAD 0.03355 0.40865 1.19048
2 5OFW 9TW 0.01038 0.41528 1.34529
3 1WHT BZS 0.02066 0.40004 1.96078
4 1V59 FAD 0.005185 0.44907 2.77778
5 1U1J MET 0.007634 0.4102 2.77778
6 1DQS NAD 0.02868 0.40716 2.77778
7 1FL2 FAD 0.008756 0.43204 3.1746
8 1I9G SAM 0.006903 0.41497 3.1746
9 5TQZ GLC 0.000002359 0.60631 3.33333
10 1MO9 FAD 0.00418 0.47403 3.96825
11 1MO9 KPC 0.004784 0.47145 3.96825
12 2B9W FAD 0.02106 0.42488 3.96825
13 3LLZ GAL NGA 0.004616 0.42195 4.51128
14 1GET FAD 0.004225 0.46723 4.7619
15 1GET NAP 0.004467 0.46723 4.7619
16 1PS9 FAD 0.02132 0.41455 4.7619
17 4H4D 10E 0.006253 0.41117 4.7619
18 3BY8 MLT 0.0161 0.40493 4.92958
19 5TE1 7A2 0.00295 0.436 5.15873
20 1TUU ADP 0.003963 0.43497 5.55556
21 1TUU AMP 0.003627 0.43164 5.55556
22 3RIY NAD 0.01789 0.40693 6.34921
23 4UP3 FAD 0.0349 0.40286 6.34921
24 2XVF FAD 0.03152 0.40233 6.34921
25 2GUC MAN 0.0000002342 0.63808 6.55738
26 2NU5 NAG 0.0000003087 0.63069 6.55738
27 2GUD MAN 0.0000003112 0.62669 6.55738
28 2HYR BGC GLC 0.0000004692 0.61368 6.55738
29 2NUO BGC 0.000002712 0.56459 6.55738
30 2GUD BMA 0.000003461 0.55706 6.55738
31 2GUE NAG 0.00001053 0.47898 6.55738
32 2HYQ MAN MAN 0.000008691 0.4235 6.55738
33 4QB6 GCU XYP 0.01882 0.40849 6.70732
34 2XVE FAD 0.04654 0.40935 6.74603
35 3VY6 BGC BGC 0.000002152 0.5665 7.0922
36 3LAD FAD 0.005301 0.44584 7.53968
37 3F8D FAD 0.01685 0.43795 7.93651
38 3AD8 NAD 0.02966 0.40066 7.93651
39 2GVC FAD 0.0249 0.40335 9.52381
40 4LNU GTP 0.007391 0.42145 11.1111
41 5EYP GTP 0.008537 0.41846 11.1111
42 2VVM FAD 0.01638 0.4194 11.5079
43 1N4W FAD 0.03817 0.40341 11.9048
44 4AKB GAL 0.009056 0.42531 12.782
45 5FS0 5JC 0.0144 0.40246 12.7962
46 4GYW UDP 0.02351 0.40348 13.8889
47 4FWE FAD 0.03782 0.40361 14.6825
48 2DUR MAN MAN 0.0000008081 0.65144 19.8413
49 4ZNO SUC 0.00002726 0.53916 21.0317
50 2F5Z FAD 0.01828 0.41967 25
Pocket No.: 2; Query (leader) PDB : 2AR6; Ligand: NAG MAN MAN MAN NAG; Similar sites found: 37
This union binding pocket(no: 2) in the query (biounit: 2ar6.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5N53 8NB 0.01992 0.40721 None
2 5FQ0 FLC 0.02475 0.40219 None
3 1TDF NAP 0.04972 0.40449 1.19048
4 1TDF FAD 0.02684 0.40449 1.19048
5 1YKJ FAD 0.04987 0.40061 1.98413
6 1U1J MET 0.01174 0.40371 2.77778
7 1FL2 FAD 0.00797 0.42335 3.1746
8 5TQZ GLC 0.000002622 0.61433 3.33333
9 1MO9 FAD 0.005769 0.45543 3.96825
10 1MO9 KPC 0.006504 0.45334 3.96825
11 2B9W FAD 0.02497 0.4118 3.96825
12 3LLZ GAL NGA 0.005737 0.42892 4.51128
13 1GET NAP 0.007467 0.44467 4.7619
14 1GET FAD 0.007052 0.44467 4.7619
15 4H4D 10E 0.009653 0.40461 4.7619
16 1PS9 FAD 0.02262 0.40389 4.7619
17 3QVP FAD 0.02944 0.40015 4.7619
18 5TE1 7A2 0.006215 0.42649 5.15873
19 1TUU ADP 0.009252 0.42263 5.55556
20 1TUU AMP 0.008247 0.42039 5.55556
21 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.0004834 0.42901 6.50407
22 2GUC MAN 0.00000025 0.64881 6.55738
23 2NU5 NAG 0.0000003455 0.63948 6.55738
24 2GUD MAN 0.0000003369 0.63645 6.55738
25 2HYR BGC GLC 0.000000494 0.62428 6.55738
26 2NUO BGC 0.000002457 0.56948 6.55738
27 2GUD BMA 0.000004076 0.56234 6.55738
28 2GUE NAG 0.00001006 0.48406 6.55738
29 2HYQ MAN MAN 0.0000006041 0.40776 6.55738
30 4QB6 GCU XYP 0.02469 0.40281 6.70732
31 3VY6 BGC BGC 0.000002385 0.57072 7.0922
32 3F8D FAD 0.02093 0.42348 7.93651
33 5EYP GTP 0.009884 0.40498 11.1111
34 2VVM FAD 0.02047 0.40505 11.5079
35 4AKB GAL 0.009499 0.43022 12.782
36 2DUR MAN MAN 0.000001248 0.6498 19.8413
37 4ZNO SUC 0.00002744 0.54533 21.0317
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