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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 510 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 391 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 298 families.
1 2AUY - NAG MAN MMA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG MAN MMA; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG MAN MMA 1 1
2 NAG MBG 0.825397 1
3 NAG MAN BMA 0.732394 0.957447
4 WZ5 0.719512 1
5 MMA MAN NAG MAN NAG NAG 0.658537 0.94
6 MAN MAN NAG 0.636364 0.918367
7 WZ4 0.614583 0.94
8 NAG MAN MAN MAN NAG 0.614458 0.938776
9 A2G MBG 0.611111 1
10 MBG A2G 0.611111 1
11 GAL NAG 0.583333 0.957447
12 NAG GAL 0.583333 0.957447
13 NAG GAL BGC 0.575 0.957447
14 NAG GAL NAG 0.575 0.938776
15 NAG BMA NAG MAN MAN NAG NAG 0.552083 0.92
16 GAL NGA A2G 0.551282 0.938776
17 NAG MAN MAN 0.548781 0.957447
18 MAG 0.545455 0.93617
19 2F8 0.545455 0.93617
20 NGA GLA GAL BGC 0.541176 0.957447
21 CBS CBS 0.533333 0.938776
22 NAG GDL 0.533333 0.938776
23 NDG NAG 0.533333 0.938776
24 NAG NGA 0.533333 0.938776
25 NAG A2G 0.533333 0.938776
26 CBS 0.533333 0.938776
27 NAG MAN BMA MAN NAG GAL 0.53125 0.938776
28 NAG MAN BMA NDG MAN NAG GAL 0.53 0.92
29 NAG NAG BMA MAN MAN NAG GAL NAG 0.524752 0.92
30 M5G 0.524752 0.938776
31 NGA GAL 0.519481 0.897959
32 NAG NM9 0.518072 0.921569
33 NAG NAG BMA MAN MAN NAG NAG 0.514563 0.851852
34 FUC BGC GAL NAG 0.511111 0.978723
35 MDM 0.507246 0.744681
36 GAL MBG 0.507246 0.744681
37 M13 0.507246 0.744681
38 CTO 0.506329 0.92
39 NAG NAG NAG NAG NDG 0.506329 0.92
40 NDG NAG NAG 0.506329 0.92
41 NAG NAG NAG NAG NAG NAG NAG NAG 0.506329 0.92
42 NAG NAG NAG NDG 0.506329 0.92
43 NAG NAG NDG NAG 0.506329 0.92
44 NAG NAG NDG 0.506329 0.92
45 NAG NAG NAG NAG NAG NAG 0.506329 0.92
46 NDG NAG NAG NDG 0.506329 0.92
47 NAG NAG NAG NAG NAG 0.506329 0.92
48 NDG NAG NAG NAG 0.506329 0.92
49 A2G GLA FUC 0.506024 0.978723
50 A2G GAL FUC 0.506024 0.978723
51 FUC GLA A2G 0.506024 0.978723
52 NGA GAL FUC 0.506024 0.978723
53 FUC GAL A2G 0.506024 0.978723
54 NAG AMU NAG AMV 0.494505 0.921569
55 LEC NGA 0.494382 0.707692
56 BMA Z4Y NAG 0.494382 0.9375
57 3PV 0.48913 0.94
58 3QL 0.487805 0.867925
59 NGA GAL BGC 0.487805 0.957447
60 NAG NAG 0.4875 0.849057
61 NAG NDG 0.4875 0.849057
62 FUC GAL NAG GAL BGC 0.484211 0.978723
63 GLC NAG GAL GAL FUC 0.484211 0.978723
64 GAL GLC NAG GAL FUC 0.484211 0.978723
65 A2G GAL NAG FUC 0.483871 0.92
66 FUC GAL NAG A2G 0.483871 0.92
67 A2G GAL BGC FUC 0.483871 0.978723
68 GLC GAL NAG GAL FUC A2G 0.480392 0.92
69 A2G GAL NAG FUC GAL GLC 0.480392 0.92
70 MAN BMA NAG NAG MAN NAG GAL GAL 0.48 0.92
71 NAG MAN MAN MAN NAG GAL NAG GAL 0.48 0.92
72 6Y2 0.477778 0.707692
73 ASN NAG NAG BMA MAN MAN NAG NAG 0.477477 0.821429
74 GLC GAL NAG GAL 0.477273 0.957447
75 LAT NAG GAL 0.477273 0.957447
76 GLC FUC GAL FUC A2G 0.473118 0.958333
77 BGC FUC GAL FUC A2G 0.473118 0.958333
78 NAG AMU 0.471264 0.901961
79 NAG MUB 0.471264 0.901961
80 FUC C4W NAG BMA MAN MAN NAG NAG 0.469027 0.867925
81 GAL NAG GAL NAG GAL NAG 0.465909 0.92
82 NAG GAL GAL NAG 0.465909 0.938776
83 NAG GAL GAL NAG GAL 0.465909 0.938776
84 NAG NAG NAG 0.465116 0.851852
85 NAG NAG NAG NAG 0.465116 0.851852
86 NAG MAN 0.4625 0.918367
87 MA8 0.4625 0.811321
88 FHY 0.462366 0.886792
89 NAG BMA MAN MAN MAN MAN MAN 0.460674 0.734694
90 NAG GAL FUC FUC A2G 0.458333 0.92
91 FUC GAL NAG A2G FUC 0.458333 0.92
92 NAG GAL 2NA 0.455446 0.849057
93 GAL MGC 0.454545 1
94 DR3 0.453488 0.978723
95 GN1 0.452055 0.724138
96 NG1 0.452055 0.724138
97 MAN MAN MAN GLC 0.45 0.702128
98 BGC GAL NAG GAL FUC FUC 0.45 0.958333
99 GLC GAL NAG GAL FUC FUC 0.45 0.958333
100 DLD 0.449438 0.779661
101 GAL NAG MAN 0.447059 0.957447
102 FUC GAL NAG GAL FUC 0.446809 0.958333
103 NAG AH0 0.445652 0.836364
104 GAL NAG GAL BGC 0.445652 0.918367
105 NOJ NAG NAG NAG 0.444444 0.807018
106 NOJ NAG NAG 0.444444 0.821429
107 Z4S NAG NAG 0.444444 0.851852
108 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.444444 0.94
109 NGT NAG 0.443182 0.779661
110 NAG BDP NAG BDP NAG BDP NAG 0.442105 0.901961
111 FUL GAL NAG 0.44186 0.978723
112 FUC GAL NDG 0.44186 0.978723
113 GAL NAG FUC 0.44186 0.978723
114 NDG GAL FUC 0.44186 0.978723
115 FUC GAL NAG 0.44186 0.978723
116 DR2 0.44186 0.978723
117 NAG GAL FUC 0.44186 0.978723
118 MAN BMA NAG 0.440476 0.957447
119 GLA GAL NAG 0.440476 0.957447
120 BGC GAL NAG GAL 0.438202 0.957447
121 AH0 NAG 0.438202 0.836364
122 GAL NAG GAL GLC 0.438202 0.957447
123 BGA 0.43299 0.821429
124 NAG NAG BMA MAN NAG 0.432692 0.851852
125 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.431193 0.938776
126 OPM MAN MAN 0.430233 0.62963
127 NAG NAG NGT 0.430108 0.766667
128 6ZC 0.428571 0.661538
129 LEC 0.428571 0.661538
130 NAG NAG BMA MAN 0.427083 0.867925
131 GAL NAG FUC FUC 0.426966 0.958333
132 FUC GAL NDG FUC 0.426966 0.958333
133 BDZ 0.426966 0.958333
134 FUC NDG GAL FUC 0.426966 0.958333
135 GAL NDG FUC FUC 0.426966 0.958333
136 FUC GAL NAG FUC 0.426966 0.958333
137 BCW 0.426966 0.958333
138 FUC NAG GAL FUC 0.426966 0.958333
139 TNR 0.425 0.826923
140 GUM 0.424242 0.807018
141 FUC C4W NAG BMA MAN MAN NAG 0.423729 0.867925
142 NAG NAG BMA MAN MAN MAN MAN 0.423423 0.867925
143 3YW 0.423077 0.875
144 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.421569 0.957447
145 FUC BGC GAL NAG GAL 0.42 0.978723
146 GAL NGA GLA BGC GAL 0.419355 0.957447
147 BMA MAN MAN MAN 0.417722 0.702128
148 UMG 0.415842 0.807018
149 GYU 0.407407 0.77193
150 NDG BDP BDP NPO NDG 0.407407 0.707692
151 FUC C4W NAG BMA MAN NAG 0.40708 0.867925
152 NAA NAA AMI 0.40404 0.723077
153 AO3 0.40404 0.723077
154 GLA GAL NAG FUC GAL GLC 0.403846 0.978723
155 GLA MBG 0.402778 0.744681
156 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 with APoc: 170
This union binding pocket(no: 1) in the query (biounit: 2auy.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5N53 8NB None
2 3TD3 GLY None
3 1TKU 5RP 0.980392
4 1TDF NAP 1.19048
5 1TDF FAD 1.19048
6 1V84 UDP 1.19048
7 6BKA FMN 1.19048
8 4RDN 6MD 1.1976
9 5OFW 9TW 1.34529
10 3CTY FAD 1.5674
11 1VDC FAD 1.5873
12 1L1Q 9DA 1.6129
13 1WHT BZS 1.96078
14 4AT0 FAD 1.98413
15 3KLJ FAD 1.98413
16 2HW1 ANP 1.98413
17 1S7G NAD 1.98413
18 1KNM LAT 2.30769
19 4M52 M52 2.38095
20 2A8X FAD 2.38095
21 3BP1 GUN 2.38095
22 4M52 FAD 2.38095
23 6H3O FAD 2.38095
24 1V59 FAD 2.77778
25 6F7L FAD 2.77778
26 1U1J MET 2.77778
27 1AJ8 COA 2.77778
28 3AB1 FAD 3.05556
29 3I7S PYR 3.1746
30 1FL2 FAD 3.1746
31 1I9G SAM 3.1746
32 5NII FAD 3.1746
33 4USQ FAD 3.1746
34 3A7R LAQ 3.1746
35 6CEP NAD 3.1746
36 6CEP OXM 3.1746
37 3H8C NSZ 3.18182
38 1S68 AMP 3.21285
39 5TQZ GLC 3.33333
40 2IVD FAD 3.57143
41 1NAA 6FA 3.57143
42 1O94 ADP 3.57143
43 5J7X FAD 3.57143
44 2EFX NFA 3.57143
45 2IVN ANP 3.57143
46 1HXD BTN 3.57143
47 1V8B NAD 3.57143
48 3ORF NAD 3.58566
49 6GAS FAD 3.62538
50 2HJR APR 3.65854
51 5TDF 7A3 3.94432
52 1MO9 FAD 3.96825
53 1MO9 KPC 3.96825
54 2B9W FAD 3.96825
55 4YKG FAD 3.96825
56 4YKG NAD 3.96825
57 5YB7 ORN 3.96825
58 2X0K PPV 3.96825
59 1QL9 ZEN 4.03587
60 5XFH NAG MAN BMA MAN NAG GAL 4.13793
61 5TWB FAD 4.36047
62 2Q0L FAD 4.36508
63 2CUN 3PG 4.36508
64 2YG3 FAD 4.36508
65 1EU1 MGD 4.36508
66 5DMZ ADP 4.36508
67 3LLZ GAL NGA 4.51128
68 3MYU VIB 4.65116
69 1GET FAD 4.7619
70 1GET NAP 4.7619
71 1GPM CIT 4.7619
72 1FEC FAD 4.7619
73 1PS9 FAD 4.7619
74 3QVP FAD 4.7619
75 1YY5 FAD 4.7619
76 1LVL FAD 4.7619
77 4H4D 10E 4.7619
78 1RSG FAD 4.7619
79 5X8G S0N 4.7619
80 1QXO EPS 4.7619
81 3MB5 SAM 4.7619
82 4WB6 ATP 4.7619
83 4P6G 2FZ 4.86726
84 5YRG BGC GLC 4.92958
85 5YRF GLC GLC 4.92958
86 3BY8 MLT 4.92958
87 2RAB NAD 5.15873
88 5TE1 7A2 5.15873
89 1ZK7 FAD 5.15873
90 1GTE FAD 5.15873
91 4YNU FAD 5.15873
92 4DSG FAD 5.15873
93 4DSG UDP 5.15873
94 2RAB FAD 5.15873
95 6F97 FAD 5.15873
96 5GSN FAD 5.15873
97 2RBK VN4 5.15873
98 6AM8 PLT 5.30303
99 4EHQ GBL 5.40541
100 3QV9 QV7 5.41082
101 1TUU ADP 5.55556
102 3ITJ FAD 5.55556
103 4USR FAD 5.55556
104 1TUU AMP 5.55556
105 2QCS ANP 5.55556
106 4JDR FAD 5.95238
107 4BV6 FAD 5.95238
108 3GD4 FAD 5.95238
109 1CER NAD 5.95238
110 5YRI GLC GLC 6.33803
111 5YRM BGC GLC 6.33803
112 5YRL GLC GLC 6.33803
113 5YRJ BGC GLC 6.33803
114 4UP3 FAD 6.34921
115 2JK0 ASP 6.34921
116 1IXE CIT 6.34921
117 3RIY NAD 6.34921
118 2XVF FAD 6.34921
119 2GUC MAN 6.55738
120 2NU5 NAG 6.55738
121 2GUE NAG 6.55738
122 2GUD MAN 6.55738
123 2HYR BGC GLC 6.55738
124 2HYQ MAN MAN 6.55738
125 2NUO BGC 6.55738
126 2GUD BMA 6.55738
127 3LZW NAP 6.62651
128 3LZW FAD 6.62651
129 4QB6 GCU XYP 6.70732
130 2XVE FAD 6.74603
131 2IID PHE 6.74603
132 2IID FAD 6.74603
133 1GPJ CIT 6.74603
134 5TS5 FAD 6.74603
135 3VY6 BGC BGC 7.0922
136 1GPE FAD 7.14286
137 1FFU CDP 7.14286
138 3LAD FAD 7.53968
139 5W19 9TD 7.53968
140 4Z24 FAD 7.53968
141 1DCP HBI 7.69231
142 2Q7V FAD 7.93651
143 3F8D FAD 7.93651
144 4C3Y FAD 7.93651
145 4C3Y ANB 7.93651
146 5JZJ AN2 9.52381
147 2GV8 FAD 9.52381
148 2GVC FAD 9.52381
149 2PHN GDP 9.52381
150 5LXT GTP 11.1111
151 4LNU GTP 11.1111
152 3RYC GTP 11.1111
153 5EYP GTP 11.1111
154 2HQM FAD 11.5079
155 2VVL FAD 11.5079
156 2VVM FAD 11.5079
157 4AKB GAL 12.782
158 6C7Y ADP 12.8205
159 3R51 MMA 13.75
160 4FWE FAD 14.6825
161 4GUS FAD 14.6825
162 1BZL FAD 15.4762
163 3QFA FAD 15.873
164 4J56 FAD 18.4211
165 2DUR MAN MAN 19.8413
166 4ZNO SUC 21.0317
167 2G50 ALA 23.8095
168 2F5Z FAD 25
169 5ITZ GTP 27.907
170 5EIB GTP 30.4348
Pocket No.: 2; Query (leader) PDB : 2AUY; Ligand: NAG MAN MMA; Similar sites found with APoc: 61
This union binding pocket(no: 2) in the query (biounit: 2auy.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4IV9 FAD 1.5873
2 2P3V SRT 2.34375
3 1L7N ALF 2.36967
4 5DEP UD1 2.38095
5 4HA6 FAD 2.38095
6 3RNM FAD 2.77778
7 3AYI HCI 2.77778
8 3AYI FAD 2.77778
9 3A23 GAL 2.77778
10 4IPE ANP 2.77778
11 3Q9T FAY 2.77778
12 3NKS FAD 3.1746
13 5MIT NAP 3.1746
14 5MIT FAD 3.1746
15 5HSA FAS 3.57143
16 5EXW 7DT 3.57143
17 3C5E ATP 3.57143
18 5OBU ANP 3.57143
19 1LLO NAA NAA AMI 3.57143
20 1SOW NAD 3.57143
21 5YB7 FAD 3.96825
22 2AQJ FAD 3.96825
23 2AQJ TRP 3.96825
24 5U8U FAD 4.36508
25 4ZCC NAI 4.36508
26 4ZCC FAD 4.36508
27 3HDY FAD 4.36508
28 3HDY FDA 4.36508
29 3HDY GDU 4.36508
30 2C7G FAD 4.36508
31 2C7G ODP 4.36508
32 4U8P UDP 4.7619
33 4U8P FDA 4.7619
34 6EQS BV8 4.7619
35 4NST AF3 5.15873
36 6HKE LMR 5.15873
37 1JXZ BCA 5.15873
38 6HKE MLT 5.15873
39 1H82 GZZ 5.55556
40 1H82 FAD 5.55556
41 1Q9I FAD 5.55556
42 1Q9I TEO 5.55556
43 5K4G ASP 5.55556
44 6ER9 NAP 5.95238
45 6ER9 FAD 5.95238
46 4BNU 9KQ 6.34921
47 4REP FAD 6.74603
48 4MO2 FAD 6.74603
49 2JB2 PHE 7.53968
50 2JB2 FAD 7.53968
51 2A9G ARG 7.89474
52 2CNE DFJ 8.33333
53 4XFR CIT 8.33333
54 3K7M FAD 9.52381
55 2E5V FAD 9.52381
56 4RPL FAD 9.92064
57 4RPL 3UC 9.92064
58 1LDN FBP 10.3175
59 2GAG NAD 12.3016
60 4HSU FAD 14.6825
61 1COY FAD 15.873
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