Receptor
PDB id Resolution Class Description Source Keywords
2D6O 1.78 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MOUSE GALECTIN-9 N-TERMINAL CRD IN COMP N-ACETYLLACTOSAMINE DIMER MUS MUSCULUS BETA SANDWICH CARBOHYDRATE BINDING PROTEIN GALECTIN SUGARPROTEIN
Ref.: CRYSTAL STRUCTURE OF THE GALECTIN-9 N-TERMINAL CARB RECOGNITION DOMAIN FROM MUS MUSCULUS REVEALS THE BA MECHANISM OF CARBOHYDRATE RECOGNITION J.BIOL.CHEM. V. 281 35884 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL X:301;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG GAL GAL NAG X:158;
Valid;
none;
submit data
748.685 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2D6M 1.6 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MOUSE GALECTIN-9 N-TERMINAL CRD IN COMPLEX WITH LACTOSE MUS MUSCULUS BETA SANDWICH CARBOHYDRATE BINDING PROTEIN GALECTIN SUGARBINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE GALECTIN-9 N-TERMINAL CARBOHYDRATE RECOGNITION DOMAIN FROM MUS MUSCULUS REVEALS THE BASIC MECHANISM OF CARBOHYDRATE RECOGNITION J.BIOL.CHEM. V. 281 35884 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2D6N - GAL NAG n/a n/a
2 2D6M - LBT C12 H22 O11 C([C@@H]1[....
3 2D6O - NAG GAL GAL NAG n/a n/a
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2D6N - GAL NAG n/a n/a
2 2D6M - LBT C12 H22 O11 C([C@@H]1[....
3 2D6O - NAG GAL GAL NAG n/a n/a
4 2EAL - GAL NGA A2G n/a n/a
5 2ZHL Kd = 3 uM NAG GAL GAL NAG n/a n/a
6 2ZHK Kd = 3 uM NAG GAL GAL NAG n/a n/a
7 2ZHN - NAG GAL NAG GAL GAL NAG n/a n/a
8 2ZHM - NAG GAL GAL NAG GAL n/a n/a
9 2EAK - LBT C12 H22 O11 C([C@@H]1[....
10 3WLU - LSE C18 H36 O10 Se Si C[Si](C)(C....
50% Homology Family (94)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 5NF9 Kd = 4.7 uM 8VW C22 H32 N2 O12 CC(=O)N[C@....
2 5E8A Kd = 0.034 uM 5KS C28 H30 F2 N6 O8 S c1cc(ccc1c....
3 1A3K - GAL NAG n/a n/a
4 3T1M Kd = 0.91 mM DQT C23 H27 N O7 Cc1ccc(cc1....
5 4LBL Kd = 11 uM BGC SIA GAL n/a n/a
6 2NMN Kd = 260 uM GAL BGC n/a n/a
7 4R9B - LAT C12 H22 O11 C([C@@H]1[....
8 2NN8 Kd = 260 uM LAT C12 H22 O11 C([C@@H]1[....
9 4JC1 Kd = 50 uM TDG C12 H22 O10 S C([C@@H]1[....
10 4R9A - LAT C12 H22 O11 C([C@@H]1[....
11 5EXO - 5SY C19 H22 O9 CC(=O)O[C@....
12 5E88 Kd = 0.065 uM 5KT C24 H28 N6 O8 S3 c1cscc1c2c....
13 4R9D - LAT C12 H22 O11 C([C@@H]1[....
14 1KJL Kd = 67 uM GAL NAG n/a n/a
15 3T1L Kd = 0.55 mM MQT C17 H22 O8 Cc1ccc(cc1....
16 2XG3 Kd = 18.2 uM UNU GAL NAG n/a n/a
17 4LBJ Kd = 0.39 uM GAL NAG GAL BGC n/a n/a
18 4R9C - LAT C12 H22 O11 C([C@@H]1[....
19 3ZSJ Kd = 231 uM LAT C12 H22 O11 C([C@@H]1[....
20 4LBM Kd = 0.97 uM BGC GAL NAG GAL n/a n/a
21 1KJR Kd = 0.88 uM BEK GAL NAG n/a n/a
22 3AYE - LAT C12 H22 O11 C([C@@H]1[....
23 5E89 Kd = 0.014 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
24 4LBO Kd = 1.7 uM BGC GAL SIA n/a n/a
25 2NMO Kd = 260 uM GAL BGC n/a n/a
26 3AYC Kd = 57 uM GAL NGA GAL BGC SIA n/a n/a
27 4JCK Kd = 4.3 mM 1LL C12 H22 O10 S C([C@@H]1[....
28 5NFA Kd = 5.6 uM 8VQ C24 H36 N2 O12 CC(=O)N[C@....
29 4LBK Kd = 0.32 uM GAL NAG GAL BGC n/a n/a
30 4RL7 - LAT C12 H22 O11 C([C@@H]1[....
31 3AYD Kd = 65 uM NPO A2G GAL n/a n/a
32 4LBN Kd = 0.65 uM GLC GAL NAG GAL n/a n/a
33 2D6N - GAL NAG n/a n/a
34 2D6M - LBT C12 H22 O11 C([C@@H]1[....
35 2D6O - NAG GAL GAL NAG n/a n/a
36 4XBN Kd = 93 uM GAL NAG n/a n/a
37 5H9R Kd = 0.84 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
38 5H9P Kd = 0.068 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
39 5DG2 - GAL GLC n/a n/a
40 5EWS - GAL BGC n/a n/a
41 4XBL Kd = 340 uM GAL NAG n/a n/a
42 4Y24 Kd = 0.22 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
43 3T2T - MQT C17 H22 O8 Cc1ccc(cc1....
44 3OY8 Kd = 220 uM GAL GCO n/a n/a
45 2EAL - GAL NGA A2G n/a n/a
46 2ZHL Kd = 3 uM NAG GAL GAL NAG n/a n/a
47 2ZHK Kd = 3 uM NAG GAL GAL NAG n/a n/a
48 2ZHN - NAG GAL NAG GAL GAL NAG n/a n/a
49 2ZHM - NAG GAL GAL NAG GAL n/a n/a
50 2EAK - LBT C12 H22 O11 C([C@@H]1[....
51 3WLU - LSE C18 H36 O10 Se Si C[Si](C)(C....
52 5H9S Kd = 87 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
53 5H9Q Kd = 38 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
54 4XBQ Kd = 270 uM GAL NAG n/a n/a
55 5T7S Kd = 3.1 uM LBT C12 H22 O11 C([C@@H]1[....
56 4BMB Ka = 13000 M^-1 LAT C12 H22 O11 C([C@@H]1[....
57 5T7I Kd = 0.33 uM LAT NAG GAL n/a n/a
58 3VKO - SIA GAL NAG n/a n/a
59 4BME Ka = 13000 M^-1 LBT C12 H22 O11 C([C@@H]1[....
60 5T7T Kd = 2.1 uM GAL NAG n/a n/a
61 3I8T Kd = 600 uM LBT C12 H22 O11 C([C@@H]1[....
62 3WV6 - GAL BGC n/a n/a
63 3NV2 - GAL NDG n/a n/a
64 3NV4 - SIA GAL BGC n/a n/a
65 3NV3 - GAL NAG MAN n/a n/a
66 3WUD Kd = 41 uM GLC GAL n/a n/a
67 3GAL - 1GN C6 H13 N O5 C([C@@H]1[....
68 4UW6 - VV7 C69 H73 N20 O39 [H]1c2c(cc....
69 2GAL - GAL C6 H12 O6 C([C@@H]1[....
70 4GAL - GAL BGC n/a n/a
71 4UW3 - 50G C31 H50 N10 O18 c1c(nnn1[C....
72 4UW4 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
73 3ZXE Kd = 450 uM PGZ C22 H28 N O8 P S Cc1ccc(cc1....
74 5GAL - NAG GAL n/a n/a
75 4UW5 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
76 1GAN - NDG GAL n/a n/a
77 1A78 - TDG C12 H22 O10 S C([C@@H]1[....
78 5DUW Kd = 510 uM 5GO C12 H22 O14 S C([C@@H]1[....
79 5DUV Kd = 1300 uM LAT C12 H22 O11 C([C@@H]1[....
80 5DUX Kd = 380 uM LAT FUC n/a n/a
81 4WVV - LBT C12 H22 O11 C([C@@H]1[....
82 4WVW - SLT C23 H39 N O19 CC(=O)N[C@....
83 4YLZ Kd = 270 uM LAT NAG GAL n/a n/a
84 5CBL - LAT C12 H22 O11 C([C@@H]1[....
85 4YM2 Kd = 1400 uM SGA BGC n/a n/a
86 4YM3 Kd = 1900 uM LAT C12 H22 O11 C([C@@H]1[....
87 4YM1 Kd = 580 uM LAT FUC n/a n/a
88 1IS4 - LAT C12 H22 O11 C([C@@H]1[....
89 1WLD - GAL BGC n/a n/a
90 5NFB Kd = 0.77 uM 8VT C30 H40 N2 O13 CC(=O)N[C@....
91 5NF7 Kd = 37.5 uM 8VZ C16 H28 N2 O11 CC(=O)N[C@....
92 1SLB - NAG MAN GAL MAN MAN NAG GAL n/a n/a
93 1SLT - NDG GAL n/a n/a
94 1SLA - NAG MAN GAL BMA NAG MAN NAG GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG GAL GAL NAG; Similar ligands found: 264
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NAG GAL NAG GAL NAG 1 0.979592
2 NAG GAL GAL NAG 1 1
3 MAN BMA NAG 0.852941 0.9375
4 GLA GAL NAG 0.852941 0.9375
5 NAG GAL GAL 0.852941 0.9375
6 GLC GAL NAG GAL 0.824324 0.9375
7 NAG GAL NAG 0.819444 1
8 NAG GAL GAL NAG GAL 0.810811 1
9 MAN MAN NAG MAN NAG 0.771084 1
10 NAG NAG BMA MAN MAN 0.771084 1
11 NDG GAL 0.746269 0.9375
12 NLC 0.746269 0.9375
13 GAL NDG 0.746269 0.9375
14 NAG MAN GAL BMA NDG MAN NAG GAL 0.719101 0.979592
15 NAG MAN GAL BMA NAG MAN NAG GAL 0.719101 0.979592
16 MAN BMA NAG NAG MAN NAG GAL GAL 0.719101 0.979592
17 NAG MAN MAN MAN NAG GAL NAG GAL 0.719101 0.979592
18 NDG NAG NAG NAG 0.69863 0.979592
19 NAG NAG NAG 0.69863 0.979592
20 NAG NAG NAG NAG NDG NAG 0.69863 0.979592
21 NAG NAG NAG NAG NAG NAG 0.69863 0.979592
22 NAG NAG NAG NDG 0.69863 0.979592
23 NAG NAG NAG NAG NDG 0.69863 0.979592
24 NDG NAG NAG NDG NAG 0.69863 0.979592
25 NAG NAG NAG NAG 0.69863 0.979592
26 NAG NAG NAG NAG NAG 0.69863 0.979592
27 NDG NAG NAG 0.69863 0.979592
28 NAG NAG NDG 0.69863 0.979592
29 NDG NAG NAG NDG 0.69863 0.979592
30 NAG NAG NAG NAG NAG NAG NAG NAG 0.69863 0.979592
31 CTO 0.69863 0.979592
32 NAG NAG BMA MAN 0.690476 0.923077
33 FUC BGC GAL NAG GAL 0.689655 0.958333
34 MAN NAG GAL 0.684211 0.9375
35 GAL NAG MAN 0.684211 0.9375
36 NAG MAN BMA NDG MAN NAG GAL 0.680851 0.979592
37 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.659794 1
38 NAG BMA MAN MAN MAN MAN 0.658824 0.9375
39 NGA GLA GAL BGC 0.658537 0.9375
40 NAG GAL BGC 0.658228 0.9375
41 CTO TMX 0.65 0.827586
42 TCG 0.65 0.827586
43 NAG GDL 0.643836 1
44 NAG NDG 0.643836 1
45 CBS CBS 0.643836 1
46 CBS 0.643836 1
47 BGC GAL NAG GAL 0.641975 0.9375
48 GAL NAG GAL BGC 0.641975 0.9375
49 LAT NAG GAL 0.641975 0.9375
50 GAL NGA GLA BGC GAL 0.630952 0.9375
51 GAL NAG GAL 0.62963 0.9
52 NAG BMA NAG MAN MAN NAG NAG 0.621053 0.979592
53 M5G 0.606061 1
54 NAG NDG BMA 0.60241 0.923077
55 NAG NAG BMA 0.60241 0.923077
56 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.595745 0.9375
57 NAG NAG NAG NAG NAG NAG NAG 0.579545 0.888889
58 G6S NAG 0.573171 0.725806
59 GAL BGC NAG GAL 0.571429 0.9375
60 NAG FUC 0.565789 0.916667
61 NAG MAN GAL MAN MAN NAG GAL 0.56383 1
62 A2G GAL NAG FUC 0.554348 0.979592
63 GLA GAL BGC 0.546667 0.6875
64 GLA GAL GAL 0.546667 0.6875
65 8VZ 0.539474 0.979592
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.538462 0.6875
67 BGC BGC BGC BGC 0.538462 0.6875
68 FUC GAL NAG GAL BGC 0.536842 0.958333
69 DR2 0.535714 0.958333
70 FUL GAL NAG 0.535714 0.958333
71 FUC GAL NAG 0.535714 0.958333
72 NDG GAL FUC 0.535714 0.958333
73 FUC GAL NDG 0.535714 0.958333
74 NAG NAG BMA BMA 0.533333 0.888889
75 FUC BGC GAL NAG 0.532609 0.958333
76 BGC GAL NAG GAL FUC FUC 0.530612 0.938776
77 GLC GAL NAG GAL FUC FUC 0.530612 0.938776
78 NGA GAL BGC 0.53012 0.9375
79 GLA GAL NAG FUC GAL GLC 0.525253 0.958333
80 NAG NAG BMA MAN MAN MAN MAN 0.523364 0.923077
81 GAL NGA 0.519481 0.9375
82 GAL A2G 0.519481 0.9375
83 A2G GAL 0.519481 0.9375
84 NAG MBG 0.518987 0.938776
85 GLC GAL NAG GAL FUC A2G 0.514563 0.979592
86 A2G GAL NAG FUC GAL GLC 0.514563 0.979592
87 SIA GAL NAG GAL GLC 0.513043 0.90566
88 BGC GAL NAG SIA GAL 0.513043 0.90566
89 SIA GAL NAG GAL BGC 0.513043 0.90566
90 GAL NGA A2G 0.512195 0.979592
91 GAL NAG 0.506329 0.9375
92 NGA GAL 0.506329 0.9375
93 NAG GAL 0.506329 0.9375
94 NAG GCU NAG GCD 0.5 0.888889
95 UNU GAL NAG 0.494505 0.94
96 SN5 SN5 0.493827 0.826923
97 BGC BGC BGC 0.493333 0.6875
98 BGC BGC BGC ASO BGC BGC ASO 0.493333 0.6875
99 BGC BGC BGC GLC BGC BGC 0.493333 0.6875
100 BGC BGC BGC BGC BGC 0.493333 0.6875
101 GLC BGC BGC BGC 0.493333 0.6875
102 GLC BGC BGC BGC BGC BGC BGC 0.493333 0.6875
103 GLA NAG GAL FUC 0.48913 0.958333
104 GAL NAG GAL FUC 0.48913 0.958333
105 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.484536 1
106 1GN ACY GAL ACY 1GN BGC GAL BGC 0.484536 1
107 GAL MGC 0.481013 0.938776
108 4U2 0.475728 0.941176
109 FUC NAG GAL 0.471264 0.958333
110 FUC NDG GAL 0.471264 0.958333
111 GAL NAG FUC 0.471264 0.958333
112 HS2 0.471264 0.862745
113 GAL NDG FUC 0.471264 0.958333
114 NDG NAG 0.46988 0.979592
115 GCS GCS NAG 0.467391 0.92
116 NOJ NAG NAG NAG 0.467391 0.872727
117 NOJ NAG NAG 0.467391 0.888889
118 SIA GAL NAG 0.466667 0.923077
119 NAG SIA GAL 0.466667 0.923077
120 NAG MAN MMA 0.465909 0.938776
121 NAG NAG BMA MAN MAN NAG NAG 0.463636 0.90566
122 NAG NGA 0.463415 1
123 NAG BMA 0.463415 0.846154
124 NAG A2G 0.463415 1
125 MBG A2G 0.457831 0.938776
126 MAN MAN MAN GLC 0.457831 0.6875
127 A2G MBG 0.457831 0.938776
128 MAN NAG 0.45679 0.9375
129 GAL NAG SIA GAL 0.45614 0.90566
130 SIA GAL NAG GAL 0.45614 0.90566
131 BGC BGC GLC 0.455696 0.6875
132 FUC GAL NAG A2G 0.454545 0.888889
133 GAL MBG 0.453333 0.693878
134 MDM 0.453333 0.693878
135 M13 0.453333 0.693878
136 NAG NAG BMA MAN NAG 0.45283 0.90566
137 NAG GAL NGC 0.45045 0.886792
138 BMA BMA 0.445946 0.6875
139 GLA GAL 0.445946 0.6875
140 GAL BGC 0.445946 0.6875
141 GLC GAL 0.445946 0.6875
142 BMA GAL 0.445946 0.6875
143 BGC GAL 0.445946 0.6875
144 BGC GLC 0.445946 0.6875
145 CBI 0.445946 0.6875
146 GLA GLA 0.445946 0.6875
147 GAL GLC 0.445946 0.6875
148 MAL MAL 0.445946 0.673469
149 LAT 0.445946 0.6875
150 LBT 0.445946 0.6875
151 CBK 0.445946 0.6875
152 BGC BMA 0.445946 0.6875
153 N9S 0.445946 0.6875
154 GLC BGC 0.445946 0.6875
155 MAB 0.445946 0.6875
156 MAL 0.445946 0.6875
157 B2G 0.445946 0.6875
158 A2G GAL BGC FUC 0.444444 0.958333
159 NAG GAL SIA 0.444444 0.90566
160 4U1 0.444444 0.923077
161 MAN BMA BMA 0.441558 0.6875
162 BGC GLC GLC GLC GLC GLC GLC 0.441558 0.6875
163 MTT 0.441558 0.6875
164 GLC GLC BGC 0.441558 0.6875
165 GLC GLC GLC GLC GLC GLC GLC GLC 0.441558 0.6875
166 BMA MAN BMA 0.441558 0.6875
167 MT7 0.441558 0.6875
168 GLC GLC GLC GLC GLC GLC GLC 0.441558 0.6875
169 GLA GAL GLC 0.441558 0.6875
170 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.441558 0.6875
171 GLC BGC BGC 0.441558 0.6875
172 BGC BGC BGC BGC BGC BGC 0.441558 0.6875
173 BGC GLC GLC GLC GLC 0.441558 0.6875
174 BMA BMA BMA BMA BMA BMA 0.441558 0.6875
175 GAL GAL GAL 0.441558 0.6875
176 GLC GLC GLC GLC GLC 0.441558 0.6875
177 CE8 0.441558 0.6875
178 CTR 0.441558 0.6875
179 BGC GLC GLC 0.441558 0.6875
180 CTT 0.441558 0.6875
181 MLR 0.441558 0.6875
182 BMA BMA BMA BMA BMA 0.441558 0.6875
183 DXI 0.441558 0.6875
184 GLC BGC GLC 0.441558 0.6875
185 GLC GLC BGC GLC GLC GLC GLC 0.441558 0.6875
186 GLC BGC BGC BGC BGC 0.441558 0.6875
187 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.441558 0.6875
188 CEY 0.441558 0.6875
189 CE6 0.441558 0.6875
190 GLC BGC BGC BGC BGC BGC 0.441558 0.6875
191 BGC BGC BGC GLC 0.441558 0.6875
192 GLC GAL GAL 0.441558 0.6875
193 CEX 0.441558 0.6875
194 MAN BMA BMA BMA BMA 0.441558 0.6875
195 CT3 0.441558 0.6875
196 B4G 0.441558 0.6875
197 BMA BMA BMA 0.441558 0.6875
198 CE5 0.441558 0.6875
199 MAN MAN BMA BMA BMA BMA 0.441558 0.6875
200 BGC GLC GLC GLC 0.441558 0.6875
201 U63 0.441558 0.634615
202 NAG NAG NGT 0.4375 0.813559
203 BEK GAL NAG 0.435644 0.842105
204 A2G GAL FUC 0.428571 0.958333
205 FUC GAL A2G 0.428571 0.958333
206 FUC GLA A2G 0.428571 0.958333
207 A2G GLA FUC 0.428571 0.958333
208 FUC GL0 A2G 0.428571 0.958333
209 NGA GAL FUC 0.428571 0.958333
210 LB2 0.426667 0.6875
211 M3M 0.426667 0.6875
212 MAN GLC 0.426667 0.6875
213 DLD 0.425532 0.827586
214 FUC GAL NAG GAL FUC 0.424242 0.938776
215 NAG AMU NAG AMV 0.424242 0.941176
216 A2G SER GAL 0.422222 0.94
217 NGA SER GAL 0.422222 0.94
218 GAL SER A2G 0.422222 0.94
219 GAL TNR 0.422222 0.94
220 NAG NGO 0.422222 0.886792
221 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.422018 0.865385
222 NAG GAL FUC FUC A2G 0.421569 0.979592
223 FUC GAL NAG A2G FUC 0.421569 0.979592
224 MAN BMA BMA BMA BMA BMA 0.419753 0.673469
225 BMA BMA BMA BMA BMA BMA MAN 0.419753 0.673469
226 GAL NOK 0.418605 0.803571
227 GLC GLC XYP 0.418605 0.6875
228 NOK GAL 0.418605 0.803571
229 ASG 0.417722 0.65625
230 GLA EGA 0.417722 0.693878
231 ASN NAG NAG BMA MAN MAN NAG NAG 0.416667 0.888889
232 8VW 0.415842 0.90566
233 MMA MAN 0.415584 0.693878
234 DR5 0.415584 0.693878
235 NAG AMU 0.414894 0.96
236 NAG MUB 0.414894 0.96
237 LOG GAL 0.413793 0.793103
238 GAL LOG 0.413793 0.793103
239 LAT GLA 0.413333 0.6875
240 AO3 0.411765 0.738462
241 UMG 0.409524 0.857143
242 NAG NAG 0.409091 0.903846
243 GAL A2G THR 0.408602 0.96
244 6Y2 0.408163 0.75
245 MAG FUC GAL 0.406593 0.92
246 GLC FUC GAL FUC A2G 0.405941 0.938776
247 NAG GCU NAG GCU NAG GCU 5AX 0.405941 0.96
248 BGC FUC GAL FUC A2G 0.405941 0.938776
249 NAG BDP NAG BDP NAG BDP NAG 0.405941 0.96
250 BDZ 0.404255 0.938776
251 FUC GAL NAG FUC 0.404255 0.938776
252 GAL A2G MBN 0.404255 0.882353
253 GAL NDG FUC FUC 0.404255 0.938776
254 GAL NAG FUC FUC 0.404255 0.938776
255 FUC GAL NDG FUC 0.404255 0.938776
256 FUC NAG GAL FUC 0.404255 0.938776
257 NAG MAN BMA 0.404255 0.9375
258 BCW 0.404255 0.938776
259 FUC NDG GAL FUC 0.404255 0.938776
260 NAG MAN MAN 0.404255 0.9375
261 NAG MAN MAN MAN NAG 0.40404 1
262 WZ5 0.403846 0.938776
263 NDG BDP BDP NPO NDG 0.401786 0.75
264 NAA NAA AMI 0.4 0.705882
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2D6M; Ligand: LBT; Similar sites found: 169
This union binding pocket(no: 1) in the query (biounit: 2d6m.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MTX PGT 0.0008226 0.48365 None
2 4MNS 2AX 0.003801 0.44766 None
3 5FQK 6NT 0.001189 0.44578 None
4 3ZO7 K6H 0.001421 0.43879 None
5 4K55 H6P 0.0006557 0.43422 None
6 4QRH 0O2 0.005424 0.43115 None
7 4ZSI GLP 0.008112 0.41519 None
8 2BOS GLA GAL 0.0009482 0.41465 None
9 1P0Z FLC 0.0005471 0.41181 None
10 4MLO PAM 0.01082 0.41166 None
11 1Y7P RIP 0.001046 0.40811 None
12 4ZSI 4R1 0.007376 0.40754 None
13 5A67 3PO 0.00791 0.40515 None
14 2BOS GLA GAL GLC 0.001401 0.40306 None
15 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.000002384 0.40532 1.76991
16 5N87 N66 0.001068 0.50637 1.88679
17 4YZC STU 0.001912 0.45922 1.88679
18 5W10 CMP 0.002761 0.44594 1.88679
19 5IXH OTP 0.01589 0.43091 1.88679
20 1MJJ HAL 0.00644 0.42604 1.88679
21 2X4Z X4Z 0.04159 0.41147 1.88679
22 3H22 B53 0.04721 0.40817 1.88679
23 4RYV ZEA 0.003528 0.44626 1.93548
24 3FW4 CAQ 0.002056 0.44068 2.24719
25 1U0A BGC BGC BGC BGC 0.00001998 0.53374 2.51572
26 5JSP DQY 0.00023 0.47802 2.51572
27 4L4J NAG NAG BMA MAN NAG 0.0003778 0.46725 2.51572
28 3AMN CBK 0.003279 0.44602 2.51572
29 3AMN CBI 0.003279 0.44602 2.51572
30 4D06 NAR 0.009616 0.4256 2.51572
31 1NYW DAU 0.002895 0.42229 2.51572
32 4NBW NAD 0.02591 0.40249 2.51572
33 1MEX RAC 0.007259 0.4021 2.51572
34 3ML5 AZM 0.008398 0.40069 2.51572
35 4WN5 MVC 0.0008604 0.45648 2.6087
36 5KJZ PCG 0.006663 0.42797 2.66667
37 5DKK FMN 0.005536 0.44545 2.75862
38 4H2V AMP 0.00007374 0.54781 3.14465
39 3AKK ADP 0.0005862 0.5018 3.14465
40 1IF7 SBR 0.007588 0.46625 3.14465
41 4XV1 904 0.004496 0.4599 3.14465
42 3SCH TB6 0.002248 0.43564 3.14465
43 3TYZ XHP 0.01518 0.42895 3.14465
44 2JIG PD2 0.004834 0.42121 3.14465
45 5J75 6GQ 0.002073 0.41786 3.14465
46 5FLJ QUE 0.01276 0.41085 3.14465
47 1DMY AZM 0.008113 0.40626 3.14465
48 5W2I I3P 0.03873 0.40433 3.14465
49 5W2I ADP 0.03873 0.40433 3.14465
50 4N9I PCG 0.04305 0.40188 3.14465
51 2HRL SIA GAL SIA BGC NGA CEQ 0.004384 0.40966 3.14961
52 5NCF 8T5 0.002529 0.42892 3.53982
53 1GP6 QUE 0.00005915 0.57562 3.77358
54 4Q0L V14 0.0008605 0.49436 3.77358
55 1GP6 DH2 0.001615 0.46493 3.77358
56 1GP6 SIN 0.001615 0.46493 3.77358
57 4N1T 2GD 0.00821 0.44933 3.77358
58 2QZ3 XYP XYP XYP 0.001488 0.44575 3.77358
59 4IGQ THR M3L GLN 0.003495 0.43111 3.77358
60 5IXG OTP 0.02895 0.4188 3.77358
61 4A4X JUP 0.01382 0.41582 3.77358
62 3NX2 FER 0.005907 0.41293 3.77358
63 1TIW TFB 0.02814 0.40994 3.77358
64 2BMB PMM 0.01708 0.40697 3.77358
65 2FXD DR7 0.005761 0.42659 4.0404
66 4P42 PEE 0.001113 0.46263 4.40252
67 5DEY 59T 0.004413 0.46072 4.40252
68 4OPC FDA 0.01508 0.4472 4.40252
69 5VC5 96M 0.005351 0.43618 4.40252
70 4P7X YCP 0.002987 0.43109 4.40252
71 4P7X AKG 0.002987 0.43109 4.40252
72 1VRP ADP 0.005255 0.42653 4.40252
73 4OCT AKG 0.00002092 0.42516 4.40252
74 2CET PGI 0.01194 0.42155 4.40252
75 4XIZ LPP 0.01529 0.4123 4.40252
76 5W0N UPU 0.007438 0.40851 4.40252
77 5MJA 7O3 0.03176 0.40351 4.40252
78 2P7Q GG6 0.006953 0.41349 4.51128
79 2WZ5 MET 0.0119 0.40374 4.57516
80 5OO5 UUA 0.0009153 0.46569 4.83871
81 5J8O 6GZ 0.007621 0.42099 4.83871
82 5FXD H7Y 0.0002336 0.51877 5.03145
83 1QY1 PRZ 0.0002958 0.49753 5.03145
84 3W8X FAD 0.001965 0.48924 5.03145
85 3W8X FTK 0.0003702 0.48924 5.03145
86 3ZMR GLO BGC BGC XYS BGC XYS XYS 0.002204 0.45701 5.03145
87 3JU6 ANP 0.001664 0.43892 5.03145
88 5DQ8 FLF 0.006389 0.43844 5.03145
89 2IUW AKG 0.00003142 0.43147 5.03145
90 5IH9 6BF 0.01221 0.42959 5.03145
91 5VNF VAL THR SER VAL VAL 0.001936 0.42751 5.03145
92 4QJP V1F 0.007576 0.42626 5.03145
93 5GXU FAD 0.03626 0.41737 5.03145
94 2WSA MYA 0.04596 0.41475 5.03145
95 2WSA 646 0.04596 0.41475 5.03145
96 5GM9 CBK 0.01806 0.41166 5.03145
97 1VJY 460 0.04688 0.40144 5.03145
98 4BVA T3 0.00004768 0.58337 5.66038
99 4P8K 38C 0.002387 0.48547 5.66038
100 1EM6 CP4 0.01123 0.48528 5.66038
101 3DLG GWE 0.004676 0.47968 5.66038
102 3E8T UQ8 0.004272 0.46588 5.66038
103 3T1A 5MA 0.002253 0.45249 5.66038
104 3Q8G PEE 0.00559 0.43776 5.66038
105 4IMO PWZ 0.001096 0.41056 5.66038
106 4G7A AZM 0.007305 0.40544 5.66038
107 5BU3 4W9 0.003065 0.43419 5.97826
108 2GJ5 VD3 0.004577 0.43908 6.28931
109 2PUL ACP 0.04461 0.41452 6.28931
110 5CKW ANP 0.009544 0.41108 6.28931
111 5HCF BGC 0.001527 0.40952 6.28931
112 4XYM A12 0.02293 0.40083 6.28931
113 4ZU4 4TG 0.001434 0.45539 6.75676
114 4ZLU 4PW 0.04659 0.40863 6.91824
115 4ZLU ADP 0.04659 0.40863 6.91824
116 5KF6 TFB 0.02672 0.4065 6.91824
117 5KF6 FAD 0.02672 0.4065 6.91824
118 4YHO 4CC 0.01579 0.40282 6.91824
119 3QRC SCR 0.000001531 0.56033 7.00637
120 4WOE ADP 0.00417 0.44141 7.54717
121 3AGC RCC 0.01296 0.42378 7.54717
122 5U6C 7YS 0.02691 0.41458 7.54717
123 4I54 1C1 0.02007 0.41283 7.54717
124 5N0F 7K2 0.01144 0.40881 7.54717
125 5FU3 BGC BGC BGC 0.0006453 0.40872 7.54717
126 2Q0D ATP 0.005379 0.45235 8.1761
127 1ZM1 BGC BGC BGC 0.0008324 0.44862 8.1761
128 1GQG DCD 0.002536 0.44785 8.1761
129 1M15 ARG 0.009454 0.44199 8.1761
130 1M15 ADP 0.009454 0.44199 8.1761
131 4NG2 OHN 0.00221 0.43843 8.1761
132 5W4W 9WG 0.02971 0.4011 8.1761
133 4TW7 37K 0.01593 0.4047 8.59375
134 1KGI T4A 0.001234 0.46672 8.66142
135 5EPQ OLA 0.0001442 0.51887 8.80503
136 4BVM PLM 0.009675 0.40684 9.02256
137 4BVM VCA 0.01031 0.40684 9.02256
138 5DXI TRE 0.003864 0.43695 9.43396
139 5H2D ERG 0.00464 0.436 9.43396
140 5H9Y BGC BGC BGC BGC 0.002715 0.42197 9.43396
141 1I82 BGC BGC 0.00006898 0.4438 10.0629
142 2I74 MAN MAN MAN MAN 0.0003702 0.41749 10.0629
143 4ZU5 THM 0.003514 0.42753 10.4167
144 5KWY C3S 0.01453 0.40158 10.6918
145 5FL5 82E 0.01147 0.40092 10.6918
146 4RFR RHN 0.007035 0.41694 11.3208
147 4L9I 8PR 0.01604 0.40952 11.3208
148 1UMZ BGC BGC XYS BGC XYS GAL 0.00004662 0.53706 11.8705
149 4NPL AKG 0.0001476 0.51667 11.9497
150 5ML3 DL3 0.0003308 0.51241 12.7517
151 4IPH 1FJ 0.01115 0.40222 13.8211
152 5ENQ 5QE 0.005684 0.44389 14.4654
153 5A89 FMN 0.02183 0.41704 14.7436
154 5LJB RTL 0.005552 0.43606 14.8148
155 4X6F 3XU 0.0114 0.44439 16.1905
156 4M1U A2G MBG 0.001169 0.44005 16.9811
157 5L2J 70E 0.04905 0.40521 17.3469
158 5A65 TPP 0.0001026 0.51898 18.239
159 5BVE 4VG 0.00123 0.494 18.239
160 3FON VAL ASN ASP ILE PHE GLU ALA ILE 0.01146 0.40871 20
161 3M3E GAL A2G NPO 0.000000001993 0.74791 20.1258
162 3ILR SGN 0.02316 0.40816 20.1258
163 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.003324 0.46338 20.202
164 4HWT 1B2 0.009094 0.40817 22.6415
165 5U98 1KX 0.03944 0.4229 23.2704
166 4NM5 ADP 0.03255 0.41919 29.1667
167 4J6W CTP 0.01636 0.40136 32.9268
168 3VV1 GAL FUC 0.00000000000271 0.92067 39.6226
169 1QKQ MAN 0.000000009183 0.72956 42.9577
Pocket No.: 2; Query (leader) PDB : 2D6M; Ligand: LBT; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 2d6m.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XCB HY0 0.02112 0.41381 4.40252
2 1URX AAL GAL AAL GLA 0.006297 0.44103 5.03145
Pocket No.: 3; Query (leader) PDB : 2D6M; Ligand: LBT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2d6m.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2D6M; Ligand: LBT; Similar sites found: 30
This union binding pocket(no: 4) in the query (biounit: 2d6m.bio3) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EW9 5VC 0.001175 0.50422 None
2 4B7P 9UN 0.01024 0.4497 None
3 4CW5 FMN 0.02078 0.4073 1.88679
4 5BYZ 4WE 0.03309 0.40631 2.51572
5 5FI4 5XV 0.01365 0.40539 3.14465
6 1JGL EST 0.007282 0.40197 3.14465
7 5X7Q GLC GLC GLC GLC 0.005584 0.40025 3.14465
8 2XMY CDK 0.007681 0.44903 3.77358
9 3F7Z 34O 0.02659 0.41297 3.77358
10 4P25 FUC GAL NAG FUC 0.007533 0.40464 3.77358
11 4UWJ 7L5 0.03094 0.41761 4.40252
12 4UWJ MYA 0.03094 0.41761 4.40252
13 2IRY DGT 0.01388 0.40063 4.40252
14 1CZA G6P 0.0102 0.40443 5.03145
15 5KEW 6SB 0.0002768 0.42244 5.55556
16 1J3R 6PG 0.0008603 0.44387 5.66038
17 4ORM 2V6 0.02336 0.42383 5.66038
18 4ORM FMN 0.02336 0.42383 5.66038
19 4ORM ORO 0.02336 0.42383 5.66038
20 4KYS VIB 0.0006424 0.40045 6.28931
21 4WW7 AMP 0.02246 0.41885 6.91824
22 5LUN OGA 0.005095 0.41158 6.91824
23 4IGH FMN 0.001901 0.49092 8.80503
24 4IGH ORO 0.001901 0.49092 8.80503
25 4IGH 1EA 0.001901 0.49092 8.80503
26 5I0U DCY 0.009754 0.40058 9.43396
27 2Q7D ANP 0.035 0.40769 10.6918
28 3UH0 TSB 0.006462 0.42163 11.9497
29 4CLI 5P8 0.03983 0.40902 13.2075
30 5A89 ADP 0.02426 0.41338 14.7436
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