Receptor
PDB id Resolution Class Description Source Keywords
2AUY 1.95 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN IN COMPLEX WITH THE TRISACCHAR GLCNAC(B1-2)MAN(A1-3)MAN PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE SUGAR LEGUME LECTIN SUGAR BINDING PR
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:273;
B:274;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MN A:271;
B:272;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
NAG MAN MMA A:300;
B:300;
Valid;
Valid;
none;
none;
submit data
559.518 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AUY 1.95 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN IN COMPLEX WITH THE TRISACCHAR GLCNAC(B1-2)MAN(A1-3)MAN PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE SUGAR LEGUME LECTIN SUGAR BINDING PR
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF COMPLEX-TYP BIANTENNARY OLIGOSACCHARIDES BY PTEROCARPUS ANGOLEN LECTIN. FEBS J. V. 273 2407 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2AUY - NAG MAN MMA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2AUY - NAG MAN MMA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2AUY - NAG MAN MMA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG MAN MMA; Similar ligands found: 152
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG MAN MMA 1 1
2 NAG MBG 0.825397 1
3 WZ5 0.719512 1
4 MMA MAN NAG MAN NAG NAG 0.658537 0.94
5 MAN MAN NAG 0.636364 0.918367
6 WZ4 0.614583 0.94
7 NAG MAN MAN MAN NAG 0.614458 0.938776
8 A2G MBG 0.611111 1
9 MBG A2G 0.611111 1
10 MAN NAG 0.591549 0.957447
11 NGA GAL 0.583333 0.957447
12 NAG GAL 0.583333 0.957447
13 GAL NAG 0.583333 0.957447
14 NAG GAL NAG 0.575 0.938776
15 NAG GAL BGC 0.575 0.957447
16 NAG BMA NAG MAN MAN NAG NAG 0.552083 0.92
17 NAG MAN MAN 0.548781 0.957447
18 NAG MAN BMA 0.548781 0.957447
19 2F8 0.545455 0.93617
20 MAG 0.545455 0.93617
21 NGA GLA GAL BGC 0.541176 0.957447
22 NDG NAG 0.539474 0.92
23 NAG A2G 0.533333 0.938776
24 NAG GDL 0.533333 0.938776
25 CBS CBS 0.533333 0.938776
26 CBS 0.533333 0.938776
27 NAG NGA 0.533333 0.938776
28 NAG NDG 0.533333 0.938776
29 NAG MAN BMA NDG MAN NAG GAL 0.53 0.92
30 M5G 0.524752 0.938776
31 NAG NM9 0.518072 0.921569
32 NAG NAG BMA MAN MAN NAG NAG 0.514563 0.851852
33 FUC BGC GAL NAG 0.511111 0.978723
34 GAL MBG 0.507246 0.744681
35 MDM 0.507246 0.744681
36 M13 0.507246 0.744681
37 NAG NAG NAG 0.506329 0.92
38 NAG NAG NAG NAG NAG NAG 0.506329 0.92
39 NAG NAG NAG NDG 0.506329 0.92
40 NAG NAG NAG NAG NDG 0.506329 0.92
41 NDG NAG NAG NAG 0.506329 0.92
42 NAG NAG NDG 0.506329 0.92
43 NDG NAG NAG NDG NAG 0.506329 0.92
44 NDG NAG NAG 0.506329 0.92
45 CTO 0.506329 0.92
46 NAG NAG NAG NAG NDG NAG 0.506329 0.92
47 NAG NAG NAG NAG NAG NAG NAG NAG 0.506329 0.92
48 NDG NAG NAG NDG 0.506329 0.92
49 NAG NAG NAG NAG 0.506329 0.92
50 NAG NAG NAG NAG NAG 0.506329 0.92
51 FUC GLA A2G 0.506024 0.978723
52 NGA GAL FUC 0.506024 0.978723
53 FUC GL0 A2G 0.506024 0.978723
54 A2G GAL FUC 0.506024 0.978723
55 FUC GAL A2G 0.506024 0.978723
56 A2G GLA FUC 0.506024 0.978723
57 NAG NGO 0.5 0.867925
58 NAG AMU NAG AMV 0.494505 0.921569
59 LEC NGA 0.494382 0.707692
60 3PV 0.48913 0.94
61 NGA GAL BGC 0.487805 0.957447
62 3QL 0.487805 0.867925
63 NAG NAG 0.4875 0.849057
64 FUC GAL NAG GAL BGC 0.484211 0.978723
65 A2G GAL BGC FUC 0.483871 0.978723
66 A2G GAL NAG FUC 0.483871 0.92
67 GLC GAL NAG GAL FUC A2G 0.480392 0.92
68 A2G GAL NAG FUC GAL GLC 0.480392 0.92
69 NAG MAN MAN MAN NAG GAL NAG GAL 0.48 0.92
70 NAG MAN GAL BMA NDG MAN NAG GAL 0.48 0.92
71 NAG MAN GAL BMA NAG MAN NAG GAL 0.48 0.92
72 MAN BMA NAG NAG MAN NAG GAL GAL 0.48 0.92
73 NAG MAN GAL MAN MAN NAG GAL 0.479167 0.938776
74 6Y2 0.477778 0.707692
75 GLC GAL NAG GAL 0.477273 0.957447
76 FUC GAL MAG FUC 0.476744 0.979167
77 ASN NAG NAG BMA MAN MAN NAG NAG 0.473214 0.836364
78 GLC FUC GAL FUC A2G 0.473118 0.958333
79 BGC FUC GAL FUC A2G 0.473118 0.958333
80 NAG AMU 0.471264 0.901961
81 NAG MUB 0.471264 0.901961
82 NAG GAL GAL NAG GAL 0.465909 0.938776
83 NAG GAL GAL NAG 0.465909 0.938776
84 GAL NAG GAL NAG GAL NAG 0.465909 0.92
85 MA8 0.4625 0.811321
86 NOJ NAG NAG NAG 0.460674 0.821429
87 NOJ NAG NAG 0.460674 0.836364
88 NAG BMA MAN MAN MAN MAN MAN 0.460674 0.734694
89 NAG GAL FUC FUC A2G 0.458333 0.92
90 FUC GAL NAG A2G FUC 0.458333 0.92
91 NAG GAL 2NA 0.455446 0.849057
92 GAL MGC 0.454545 1
93 DR3 0.453488 0.978723
94 NAG GAL FUC 0.453488 0.978723
95 GN1 0.452055 0.724138
96 NG1 0.452055 0.724138
97 BGC GAL NAG GAL FUC FUC 0.45 0.958333
98 MAN MAN MAN GLC 0.45 0.702128
99 GLC GAL NAG GAL FUC FUC 0.45 0.958333
100 DLD 0.449438 0.779661
101 MAN NAG GAL 0.447059 0.957447
102 GAL NAG MAN 0.447059 0.957447
103 FUC GAL NAG GAL FUC 0.446809 0.958333
104 NAG AH0 0.445652 0.836364
105 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.444444 0.94
106 NGT NAG 0.443182 0.779661
107 NAG BDP NAG BDP NAG BDP NAG 0.442105 0.901961
108 NAG GCU NAG GCU NAG GCU 5AX 0.442105 0.901961
109 FUC GAL NDG 0.44186 0.978723
110 NDG GAL FUC 0.44186 0.978723
111 FUL GAL NAG 0.44186 0.978723
112 FUC GAL NAG 0.44186 0.978723
113 DR2 0.44186 0.978723
114 GLA GAL NAG 0.440476 0.957447
115 NAG GAL GAL 0.440476 0.957447
116 MAN BMA NAG 0.440476 0.957447
117 LAT NAG GAL 0.438202 0.957447
118 GAL NAG GAL BGC 0.438202 0.957447
119 BGC GAL NAG GAL 0.438202 0.957447
120 AH0 NAG 0.438202 0.836364
121 BGA 0.43299 0.821429
122 NAG NAG BMA MAN NAG 0.432692 0.851852
123 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.431193 0.938776
124 OPM MAN MAN 0.430233 0.62963
125 NAG NAG NGT 0.430108 0.766667
126 LEC 0.428571 0.661538
127 6ZC 0.428571 0.661538
128 NAG NAG BMA MAN 0.427083 0.867925
129 BDZ 0.426966 0.958333
130 BCW 0.426966 0.958333
131 FUC NDG GAL FUC 0.426966 0.958333
132 GAL NDG FUC FUC 0.426966 0.958333
133 FUC NAG GAL FUC 0.426966 0.958333
134 FUC GAL NDG FUC 0.426966 0.958333
135 FUC GAL NAG FUC 0.426966 0.958333
136 GAL NAG FUC FUC 0.426966 0.958333
137 NAG NAG NAG NAG NAG NAG NAG 0.425532 0.836364
138 TNR 0.425 0.826923
139 GUM 0.424242 0.807018
140 NAG NAG BMA MAN MAN MAN MAN 0.423423 0.867925
141 BMA MAN MAN 0.423077 0.702128
142 3YW 0.423077 0.875
143 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.421569 0.957447
144 FUC BGC GAL NAG GAL 0.42 0.978723
145 GAL NGA GLA BGC GAL 0.419355 0.957447
146 UMG 0.415842 0.807018
147 NDG BDP BDP NPO NDG 0.407407 0.707692
148 GYU 0.407407 0.77193
149 AO3 0.40404 0.723077
150 GLA GAL NAG FUC GAL GLC 0.403846 0.978723
151 GLA MBG 0.402778 0.744681
152 NAG NAG BMA BMA 0.4 0.87037
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AUY; Ligand: NAG MAN MMA; Similar sites found: 82
This union binding pocket(no: 1) in the query (biounit: 2auy.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5N53 8NB 0.01584 0.40375 None
2 1TDF NAP 0.03491 0.42434 1.19048
3 1TDF FAD 0.02012 0.42356 1.19048
4 3CTY FAD 0.02339 0.41853 1.5674
5 1L1Q 9DA 0.01342 0.40352 1.6129
6 4AT0 FAD 0.03822 0.40971 1.98413
7 3KLJ FAD 0.02787 0.40431 1.98413
8 2HW1 ANP 0.01525 0.40257 1.98413
9 1V59 FAD 0.004176 0.45811 2.77778
10 3Q9T FAY 0.0195 0.41727 2.77778
11 1FL2 FAD 0.007339 0.43987 3.1746
12 1I9G SAM 0.00794 0.41612 3.1746
13 3A7R LAQ 0.02974 0.40496 3.1746
14 3H8C NSZ 0.02925 0.40103 3.18182
15 5TQZ GLC 0.000001785 0.48777 3.33333
16 5J7X FAD 0.02698 0.41005 3.57143
17 1HXD BTN 0.01507 0.40113 3.57143
18 3ORF NAD 0.02204 0.40479 3.58566
19 5TDF 7A3 0.00966 0.40656 3.94432
20 1MO9 FAD 0.003517 0.4824 3.96825
21 1MO9 KPC 0.004073 0.47948 3.96825
22 2B9W FAD 0.01436 0.43721 3.96825
23 3ZEU ADP 0.01195 0.40412 4.45104
24 3ZEU AGS 0.01543 0.40233 4.45104
25 3LLZ GAL NGA 0.003346 0.42909 4.51128
26 1GET NAP 0.004195 0.47295 4.7619
27 1GET FAD 0.003971 0.47295 4.7619
28 1FEC FAD 0.007175 0.44683 4.7619
29 1PS9 FAD 0.01428 0.42701 4.7619
30 3QVP FAD 0.0307 0.41156 4.7619
31 1YY5 FAD 0.03185 0.41154 4.7619
32 4H4D 10E 0.006297 0.40872 4.7619
33 1RSG FAD 0.03399 0.40842 4.7619
34 3MB5 SAM 0.01934 0.40076 4.7619
35 4WB6 ATP 0.02242 0.4005 4.7619
36 3BY8 MLT 0.01524 0.40479 4.92958
37 2RAB NAD 0.004698 0.46904 5.15873
38 4YNU FAD 0.02203 0.41989 5.15873
39 4DSG UDP 0.0354 0.4189 5.15873
40 4DSG FAD 0.0354 0.4189 5.15873
41 2RAB FAD 0.02531 0.41675 5.15873
42 5TE1 7A2 0.00303 0.41095 5.15873
43 3QV9 QV7 0.00988 0.41485 5.41082
44 1TUU ADP 0.004504 0.42984 5.55556
45 1TUU AMP 0.004445 0.42499 5.55556
46 4USR FAD 0.0191 0.41257 5.55556
47 2QCS ANP 0.02243 0.40049 5.55556
48 4BV6 FAD 0.02716 0.41263 5.95238
49 3GD4 FAD 0.02805 0.40823 5.95238
50 3RIY NAD 0.01791 0.41049 6.34921
51 2XVF FAD 0.03012 0.40665 6.34921
52 2GUC MAN 0.0000001402 0.64874 6.55738
53 2NU5 NAG 0.0000001878 0.64095 6.55738
54 2HYR BGC GLC 0.0000002472 0.62967 6.55738
55 2GUE NAG 0.000007204 0.48447 6.55738
56 2GUD MAN 0.0000001854 0.45334 6.55738
57 2HYQ MAN MAN 0.000004875 0.4388 6.55738
58 2NUO BGC 0.000001523 0.43322 6.55738
59 2GUD BMA 0.000002138 0.42868 6.55738
60 4QB6 GCU XYP 0.02015 0.4049 6.70732
61 2XVE FAD 0.04373 0.41394 6.74603
62 3VY6 BGC BGC 0.000001439 0.43396 7.0922
63 1GPE FAD 0.03257 0.41183 7.14286
64 1FFU CDP 0.02627 0.41065 7.14286
65 3LAD FAD 0.02009 0.42026 7.53968
66 4Z24 FAD 0.0337 0.40862 7.53968
67 4C3Y FAD 0.01502 0.42588 7.93651
68 4C3Y ANB 0.02379 0.41975 7.93651
69 5JZJ AN2 0.005012 0.41992 9.52381
70 2GVC FAD 0.02431 0.4073 9.52381
71 2PHN GDP 0.01603 0.4047 9.52381
72 4LNU GTP 0.005899 0.43025 11.1111
73 5EYP GTP 0.00973 0.41963 11.1111
74 2HQM FAD 0.0008409 0.49094 11.5079
75 1N4W FAD 0.01933 0.42199 11.9048
76 4AKB GAL 0.006157 0.43482 12.782
77 4FWE FAD 0.02993 0.41214 14.6825
78 4GUS FAD 0.03813 0.40745 14.6825
79 4J56 FAD 0.00259 0.46788 18.4211
80 2DUR MAN MAN 0.000000685 0.47494 19.8413
81 4ZNO SUC 0.00001872 0.42092 21.0317
82 5ITZ GTP 0.00593 0.43013 27.907
Pocket No.: 2; Query (leader) PDB : 2AUY; Ligand: NAG MAN MMA; Similar sites found: 30
This union binding pocket(no: 2) in the query (biounit: 2auy.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VDC FAD 0.03612 0.40777 1.5873
2 3RNM FAD 0.01483 0.42425 2.77778
3 3AYI FAD 0.04812 0.40414 2.77778
4 3AYI HCI 0.04955 0.40414 2.77778
5 5HSA FAS 0.01511 0.42207 3.57143
6 5F1X ATP 0.01465 0.41114 3.57143
7 3C5E ATP 0.0438 0.40627 3.57143
8 1LLO NAA NAA AMI 0.01721 0.40252 3.57143
9 2AQJ TRP 0.04592 0.40845 3.96825
10 2AQJ FAD 0.04716 0.40845 3.96825
11 5U8U FAD 0.01296 0.44106 4.36508
12 4ZCC FAD 0.0336 0.41157 4.36508
13 4ZCC NAI 0.0336 0.41157 4.36508
14 2C7G FAD 0.04593 0.40718 4.36508
15 2C7G ODP 0.04464 0.40718 4.36508
16 5JCA FAD 0.02926 0.40846 5.15873
17 1H82 FAD 0.03533 0.41316 5.55556
18 1H82 GZZ 0.04049 0.41316 5.55556
19 1Q9I TEO 0.04594 0.40781 5.55556
20 3ITJ FAD 0.03833 0.40717 5.55556
21 4REP FAD 0.02554 0.40879 6.74603
22 3F8D FAD 0.02915 0.42528 7.93651
23 2CNE DFJ 0.01845 0.41294 8.33333
24 2E5V FAD 0.04732 0.40019 9.52381
25 4RPL 3UC 0.03167 0.42171 9.92064
26 4RPL FAD 0.03588 0.41712 9.92064
27 2VVM FAD 0.01066 0.42874 11.5079
28 2GAG NAD 0.0267 0.40594 12.3016
29 4HSU FAD 0.03303 0.40743 14.6825
30 2F5Z FAD 0.01451 0.42474 25
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