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Receptor
PDB id Resolution Class Description Source Keywords
1FNZ 2.05 Å NON-ENZYME: BINDING A BARK LECTIN FROM ROBINIA PSEUDOACACIA IN COMPLEX WITH N- ACETYLGALACTOSAMINE ROBINIA PSEUDOACACIA JELLY ROLL SUGAR BINDING PROTEIN
Ref.: STRUCTURE OF A LEGUME LECTIN FROM THE BARK OF ROBINIA PSEUDOACACIA AND ITS COMPLEX WITH N-ACETYLGALACTOSAMINE PROTEINS V. 44 470 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A2G A:555;
Valid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
CA A:500;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FNZ 2.05 Å NON-ENZYME: BINDING A BARK LECTIN FROM ROBINIA PSEUDOACACIA IN COMPLEX WITH N- ACETYLGALACTOSAMINE ROBINIA PSEUDOACACIA JELLY ROLL SUGAR BINDING PROTEIN
Ref.: STRUCTURE OF A LEGUME LECTIN FROM THE BARK OF ROBINIA PSEUDOACACIA AND ITS COMPLEX WITH N-ACETYLGALACTOSAMINE PROTEINS V. 44 470 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 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 4WV8 - LBT C12 H22 O11 C([C@@H]1[....
5 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
6 4U36 - TNR C11 H20 N2 O8 CC(=O)N[C@....
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: A2G; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA 1 1
2 NAG 1 1
3 A2G 1 1
4 BM3 1 1
5 HSQ 1 1
6 NDG 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 STZ 0.612245 0.65
11 4QY 0.591837 0.735849
12 BMX 0.591837 0.735849
13 16G 0.591837 0.735849
14 9C1 0.58 0.886364
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NDG NAG 0.54386 0.833333
18 CBS 0.54386 0.833333
19 NAG GDL 0.54386 0.833333
20 CBS CBS 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 MAG 0.530612 0.909091
24 2F8 0.530612 0.909091
25 NDG GAL 0.517857 0.888889
26 NLC 0.517857 0.888889
27 GAL NDG 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 4UZ 0.508475 0.808511
32 NAG NAG NAG NAG NDG 0.508197 0.816327
33 NDG NAG NAG NAG 0.508197 0.816327
34 NAG NAG NDG 0.508197 0.816327
35 NAG NAG NDG NAG 0.508197 0.816327
36 CTO 0.508197 0.816327
37 NDG NAG NAG NDG 0.508197 0.816327
38 NAG NAG NAG NDG 0.508197 0.816327
39 NDG NAG NAG 0.508197 0.816327
40 NAG NAG NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 MQG 0.5 0.698113
44 NBG 0.5 0.951219
45 GAL NGA 0.491228 0.888889
46 A2G GAL 0.491228 0.888889
47 GAL A2G 0.491228 0.888889
48 AMU 0.490909 0.930233
49 NG1 0.490566 0.754717
50 GN1 0.490566 0.754717
51 NAG GAL 0.474576 0.888889
52 GAL NAG 0.474576 0.888889
53 NAG FUC 0.474576 0.866667
54 NAG GAL NAG 0.455882 0.833333
55 3YW 0.448276 0.930233
56 GLA GAL NAG 0.446154 0.888889
57 MAN BMA NAG 0.446154 0.888889
58 NGA GAL 0.428571 0.869565
59 FUC GAL NAG 0.426471 0.869565
60 GAL NAG FUC 0.426471 0.869565
61 DR2 0.426471 0.869565
62 NAG GAL FUC 0.426471 0.869565
63 NDG GAL FUC 0.426471 0.869565
64 FUC GAL NDG 0.426471 0.869565
65 FUL GAL NAG 0.426471 0.869565
66 G6S NAG 0.426471 0.645161
67 TNR 0.42623 0.833333
68 GYU 0.42623 0.740741
69 GAL NGA A2G 0.424242 0.833333
70 NAG BDP 0.421875 0.851064
71 NAG MBG 0.419355 0.851064
72 NGA GAL BGC 0.41791 0.888889
73 NAG NDG 0.415385 0.784314
74 NAG NAG 0.415385 0.784314
75 AZC 0.415094 0.795918
76 SN5 SN5 0.412698 0.705882
77 A2G MBG 0.412698 0.851064
78 MBG A2G 0.412698 0.851064
79 HS2 0.411765 0.8125
80 5AX 0.411765 0.866667
81 NAG MAN BMA 0.411765 0.888889
82 6ZC 0.409091 0.655738
83 LEC 0.409091 0.655738
84 TCG 0.408451 0.689655
85 GAL BGC NAG GAL 0.408451 0.888889
86 NAG MAN 0.40625 0.851064
87 WOO 0.404762 0.7
88 MAN 0.404762 0.7
89 GAL 0.404762 0.7
90 BGC 0.404762 0.7
91 BMA 0.404762 0.7
92 GLA 0.404762 0.7
93 ALL 0.404762 0.7
94 GLC 0.404762 0.7
95 GXL 0.404762 0.7
96 GIV 0.404762 0.7
97 NAG AMU 0.402778 0.8
98 NAG MUB 0.402778 0.8
99 NAG A2G GAL 0.402778 0.833333
100 A2G GAL FUC 0.4 0.869565
101 FUC GLA A2G 0.4 0.869565
102 DR3 0.4 0.869565
103 A2G GLA FUC 0.4 0.869565
104 NGA GAL FUC 0.4 0.869565
105 FUC GAL A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FNZ; Ligand: A2G; Similar sites found with APoc: 195
This union binding pocket(no: 1) in the query (biounit: 1fnz.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4LHW GNP 1.14943
2 3OID NDP 1.68776
3 3NUG NAD 1.68776
4 1Z0S ATP 2.1097
5 4YNU FAD 2.1097
6 1KBJ FMN 2.1097
7 5A1T NAI 2.1097
8 5A1T OXM 2.1097
9 2XVM SAH 2.51256
10 6AM8 TRP 2.52525
11 4FFS BIG 2.53165
12 1Q7B NAP 2.53165
13 5FFF NAP 2.53165
14 2VSU ACO 2.53165
15 6AYR BIG 2.53165
16 1LDN NAD 2.53165
17 4QIJ 1HA 2.53165
18 2R5C C6P 2.53165
19 2VSS ACO 2.53165
20 5U5N NAD 2.53165
21 5LU5 M7P 2.53807
22 1M7B GTP 2.71739
23 3CGD FAD 2.95359
24 2C42 PYR 2.95359
25 2C42 TPP 2.95359
26 4A62 ANP 2.95359
27 4DDY DN6 2.95359
28 2FK8 SAM 2.95359
29 3RFV NAI 2.95359
30 4Q3S X7A 2.95359
31 2ZGY GDP 2.95359
32 5VEQ PMP 2.95359
33 3X1Z GNP 2.99401
34 3BL6 FMC 3.04348
35 2W9S NDP 3.10559
36 4GAH 0ET 3.34928
37 2WPF FAD 3.37553
38 2WPF WPF 3.37553
39 2WKQ GTP 3.37553
40 1KOJ PAN 3.37553
41 2GQT FAD 3.37553
42 2CXS F6P 3.37553
43 4XB2 HSE 3.37553
44 6F7L FAD 3.37553
45 1NW5 SAM 3.37553
46 4XB2 NDP 3.37553
47 6FA4 GNP 3.46821
48 3ZOK NAD 3.79747
49 2UYT ADP 3.79747
50 2UYT LRH 3.79747
51 6D5V GNP 3.79747
52 6D55 GNP 3.79747
53 6D5H GNP 3.79747
54 2PT9 2MH 3.79747
55 2PT9 S4M 3.79747
56 4EIP K2C 3.79747
57 6BVL GNP 3.79747
58 6D59 GNP 3.79747
59 6BVK GNP 3.79747
60 6D5J GNP 3.79747
61 6D5L GNP 3.79747
62 6D5G GNP 3.79747
63 6D5E GNP 3.79747
64 6BVI GNP 3.79747
65 5JE8 NAD 3.79747
66 4RDH AMP 3.79747
67 6BVM GNP 3.79747
68 1NVV GNP 3.79747
69 1UTJ ABN 3.79747
70 4RDI ATP 3.79747
71 1ZOS MTM 3.91304
72 1I3U RR1 3.93701
73 3P2E SAH 4
74 1NVM NAD 4.21941
75 4BMX ADE 4.21941
76 5X9D 80F 4.21941
77 3VPH NAD 4.21941
78 3WXB NDP 4.21941
79 5ABH YWN 4.21941
80 3VPH OXM 4.21941
81 1ZEM NAD 4.21941
82 3SBD GNP 4.27807
83 3HY3 10F 4.4335
84 4EA7 JB2 4.54545
85 4EA7 COA 4.54545
86 4C4P GNP 4.62428
87 2NZ2 ASP 4.64135
88 5I39 FAD 4.64135
89 4R1S NAP 4.64135
90 3OTI TYD 4.64135
91 1WD4 AHR 4.64135
92 5FJN BE2 4.64135
93 5FJN FAD 4.64135
94 4YC7 GNP 4.64135
95 1JQN DCO 4.64135
96 5MQ5 ASP 5.06329
97 5HW4 SAM 5.06329
98 1MI3 NAD 5.06329
99 5Z6T NAP 5.06329
100 2BES RES 5.23256
101 4WKC BIG 5.30612
102 5TQZ GLC 5.33333
103 6BVJ GNP 5.38922
104 5CYV WCA 5.47945
105 4A2B AGS 5.48523
106 2GAG NAD 5.48523
107 3ZNN 4WL 5.48523
108 3ZNN FAD 5.48523
109 4NBW NAD 5.48523
110 2RDT FMN 5.48523
111 2RDT 2RD 5.48523
112 1WPY BTN 5.53191
113 1U1B PAX 5.64516
114 3IE3 N11 5.74163
115 3IE3 GSH 5.74163
116 6BQ6 TER 5.90717
117 1VPE ANP 5.90717
118 3EYA FAD 5.90717
119 4XFR CIT 6.08899
120 2Q7V FAD 6.32911
121 1O94 ADP 6.32911
122 2WBP ZZU 6.32911
123 2WBP SIN 6.32911
124 5G09 6DF 6.32911
125 6CEP NAD 6.32911
126 2PI8 NAG NAG NAG NAG NAG NAG 6.32911
127 5YRG BGC GLC 6.33803
128 5YRF GLC GLC 6.33803
129 1H74 ADP 6.75105
130 1E3I CXF 6.75105
131 4WKB TDI 6.75105
132 1Y8Q ATP 6.75105
133 5NUF NAD 6.75105
134 4GKV NAD 6.75105
135 4J1Q NDP 6.75105
136 1H74 ILE 6.75105
137 5ZM4 9FU 6.75105
138 3M1I GTP 6.75105
139 4NDO ATP 7.03704
140 2D7C GTP 7.18563
141 4LX0 BEF GDP 7.59494
142 5E72 SAM 8.01688
143 1UAD GNP 8.08081
144 1GWN GTP 8.29268
145 2ZC0 PMP 8.43882
146 1RYI GOA 8.43882
147 1RYI FAD 8.43882
148 3HRD FAD 8.43882
149 3CQD ATP 8.43882
150 5F52 ASP 8.43882
151 5ITZ GTP 8.52713
152 2WR9 MAN MAN 8.59375
153 5UPK GNP 8.64865
154 1ZC3 GNP 8.84956
155 6F9Q NAD 8.86076
156 5J60 FAD 8.86076
157 5YRI GLC GLC 9.15493
158 5YRJ BGC GLC 9.15493
159 5YRL GLC GLC 9.15493
160 5YRM BGC GLC 9.15493
161 1GUZ NAD 9.2827
162 1GV0 NAD 9.2827
163 5XET ME8 9.2827
164 1GEX PLP HSA 9.70464
165 4GLL NAD 9.70464
166 3GJX GTP 10.1266
167 4PLT NAI 10.5485
168 1IY8 NAD 10.5485
169 4PLT OXM 10.5485
170 1NFQ NAI 10.5485
171 1WP4 NDP 11.3924
172 4POO SAM 11.5
173 1PQ7 ARG 11.6071
174 3CGB FAD 11.8143
175 6GAS FAD 12.0846
176 3BC1 GNP 12.3077
177 6BC0 GSP 12.4324
178 6BCA GSP 12.4324
179 1KMQ GNP 12.5
180 1CXZ GSP 12.6374
181 4XOI GTP 12.7778
182 1NF3 GNP 13.2812
183 2HJR APR 13.5021
184 5L13 6ZE 15.1899
185 1WA5 GTP 15.6118
186 6BCB GSP 15.7534
187 5CB3 APR 16.3934
188 2NUO BGC 19.6721
189 2HYQ MAN MAN 19.6721
190 2HYR BGC GLC 19.6721
191 2NU5 NAG 19.6721
192 2GUE NAG 19.6721
193 2GUD BMA 19.6721
194 2GUD MAN 19.6721
195 2GUC MAN 19.6721
Pocket No.: 2; Query (leader) PDB : 1FNZ; Ligand: A2G; 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: 1fnz.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1FNZ; Ligand: A2G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1fnz.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1FNZ; Ligand: A2G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1fnz.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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