Receptor
PDB id Resolution Class Description Source Keywords
5DUX 1.85 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE HUMAN GALECTIN-4 N-TERMINAL CARBOHY RECOGNITION DOMAIN IN COMPLEX WITH 2'-FUCOSYLLACTOSE HOMO SAPIENS GALECTIN-4 H-ANTIGEN 2-prime -FUCOSYLLACTOSE SUGAR-BINDING PROTSUGAR BINDING PROTEIN
Ref.: STRUCTURAL CHARACTERISATION OF HUMAN GALECTIN-4 N-T CARBOHYDRATE RECOGNITION DOMAIN IN COMPLEX WITH GLY LACTOSE, 3'-SULFO-LACTOSE, AND 2'-FUCOSYLLACTOSE. SCI REP V. 6 20289 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL C:201;
A:201;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FMT D:203;
Invalid;
none;
submit data
46.025 C H2 O2 C(=O)...
LAT FUC B:201;
D:201;
Valid;
Valid;
none;
none;
Kd = 380 uM
488.439 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DUX 1.85 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE HUMAN GALECTIN-4 N-TERMINAL CARBOHY RECOGNITION DOMAIN IN COMPLEX WITH 2'-FUCOSYLLACTOSE HOMO SAPIENS GALECTIN-4 H-ANTIGEN 2-prime -FUCOSYLLACTOSE SUGAR-BINDING PROTSUGAR BINDING PROTEIN
Ref.: STRUCTURAL CHARACTERISATION OF HUMAN GALECTIN-4 N-T CARBOHYDRATE RECOGNITION DOMAIN IN COMPLEX WITH GLY LACTOSE, 3'-SULFO-LACTOSE, AND 2'-FUCOSYLLACTOSE. SCI REP V. 6 20289 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 5DUW Kd = 510 uM 5GO C12 H22 O14 S C([C@@H]1[....
2 5DUV Kd = 1300 uM LAT C12 H22 O11 C([C@@H]1[....
3 5DUX Kd = 380 uM LAT FUC n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3I8T Kd = 600 uM LBT C12 H22 O11 C([C@@H]1[....
2 5DUW Kd = 510 uM 5GO C12 H22 O14 S C([C@@H]1[....
3 5DUV Kd = 1300 uM LAT C12 H22 O11 C([C@@H]1[....
4 5DUX Kd = 380 uM LAT FUC n/a n/a
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: LAT FUC; Similar ligands found: 235
No: Ligand ECFP6 Tc MDL keys Tc
1 LAT FUC 1 1
2 FUC LAT 1 1
3 FUC GAL GLC 1 1
4 GLC GAL FUC 1 1
5 BGC GAL FUC 1 1
6 BGC GLA GAL FUC 0.735294 1
7 DR2 0.695652 0.73913
8 FUC GAL NDG 0.695652 0.73913
9 NDG GAL FUC 0.695652 0.73913
10 FUL GAL NAG 0.695652 0.73913
11 FUC GAL NAG 0.695652 0.73913
12 FUC GAL NAG GAL BGC 0.675 0.73913
13 GLC GAL NAG GAL FUC FUC 0.642857 0.723404
14 BGC GAL NAG GAL FUC FUC 0.642857 0.723404
15 A2G GAL BGC FUC 0.617284 0.73913
16 GAL GLC 0.610169 0.970588
17 MAL MAL 0.610169 0.942857
18 GLA GAL 0.610169 0.970588
19 MAB 0.610169 0.970588
20 BMA GAL 0.610169 0.970588
21 CBK 0.610169 0.970588
22 LAT 0.610169 0.970588
23 GAL BGC 0.610169 0.970588
24 BMA BMA 0.610169 0.970588
25 BGC GLC 0.610169 0.970588
26 GLC GAL 0.610169 0.970588
27 GLA GLA 0.610169 0.970588
28 CBI 0.610169 0.970588
29 B2G 0.610169 0.970588
30 GLC BGC 0.610169 0.970588
31 MAL 0.610169 0.970588
32 LBT 0.610169 0.970588
33 BGC BMA 0.610169 0.970588
34 BGC GAL 0.610169 0.970588
35 N9S 0.610169 0.970588
36 XYS GAL FUC 0.605634 0.971429
37 GAL NDG FUC FUC 0.6 0.723404
38 FUC GAL NAG FUC 0.6 0.723404
39 FUC NAG GAL FUC 0.6 0.723404
40 GAL NAG FUC FUC 0.6 0.723404
41 FUC NDG GAL FUC 0.6 0.723404
42 FUC GAL NDG FUC 0.6 0.723404
43 BCW 0.6 0.723404
44 BDZ 0.6 0.723404
45 NAG GAL FUC 0.594595 0.73913
46 DR3 0.594595 0.73913
47 FUC GAL NAG A2G 0.590361 0.62963
48 FUC BGC GAL 0.588235 1
49 BMA BMA BMA BMA BMA BMA 0.571429 0.970588
50 MTT 0.571429 0.970588
51 BGC GLC GLC GLC GLC GLC GLC 0.571429 0.970588
52 MLR 0.571429 0.970588
53 GLC BGC BGC BGC BGC 0.571429 0.970588
54 CE5 0.571429 0.970588
55 GAL GAL GAL 0.571429 0.970588
56 GLC GLC GLC GLC GLC GLC GLC GLC 0.571429 0.970588
57 GLC BGC BGC 0.571429 0.970588
58 MT7 0.571429 0.970588
59 CE6 0.571429 0.970588
60 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.571429 0.970588
61 CEY 0.571429 0.970588
62 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.571429 0.970588
63 GLA GAL GLC 0.571429 0.970588
64 GLC GAL GAL 0.571429 0.970588
65 BGC BGC BGC BGC BGC BGC 0.571429 0.970588
66 BMA MAN BMA 0.571429 0.970588
67 BGC BGC BGC GLC 0.571429 0.970588
68 BGC GLC GLC GLC 0.571429 0.970588
69 MAN BMA BMA 0.571429 0.970588
70 MAN BMA BMA BMA BMA 0.571429 0.970588
71 GLC GLC BGC 0.571429 0.970588
72 CTR 0.571429 0.970588
73 B4G 0.571429 0.970588
74 CTT 0.571429 0.970588
75 CEX 0.571429 0.970588
76 MAN MAN BMA BMA BMA BMA 0.571429 0.970588
77 FUC GAL 0.571429 0.970588
78 GLC BGC BGC BGC BGC BGC 0.571429 0.970588
79 BGC GLC GLC GLC GLC 0.571429 0.970588
80 GLC GLC BGC GLC GLC GLC GLC 0.571429 0.970588
81 GLC BGC GLC 0.571429 0.970588
82 GLC GLC GLC GLC GLC 0.571429 0.970588
83 CT3 0.571429 0.970588
84 BMA BMA BMA 0.571429 0.970588
85 BGC GLC GLC 0.571429 0.970588
86 GLC GLC GLC GLC GLC GLC GLC 0.571429 0.970588
87 DXI 0.571429 0.970588
88 CE8 0.571429 0.970588
89 BMA BMA BMA BMA BMA 0.571429 0.970588
90 FUC GAL MAG FUC 0.558442 0.708333
91 FUC GAL NAG GAL FUC 0.554217 0.723404
92 GLA GAL NAG FUC GAL GLC 0.544444 0.73913
93 BHE 0.540541 0.790698
94 BMA BMA BMA BMA BMA BMA MAN 0.537313 0.942857
95 MAN BMA BMA BMA BMA BMA 0.537313 0.942857
96 FUC BHG 0.534247 0.790698
97 4YA 0.534247 0.790698
98 BHG FUC 0.534247 0.790698
99 MAN MAN BMA 0.530303 0.970588
100 GLA GAL BGC 0.529412 0.970588
101 BMA MAN MAN 0.529412 0.970588
102 GLA GAL GAL 0.529412 0.970588
103 FUC GLA GLA 0.528571 1
104 GLA GAL FUC 0.528571 1
105 GAL GAL FUC 0.528571 1
106 NAG FUC 0.528571 0.695652
107 GLA GLA FUC 0.528571 1
108 FUC GAL GLA 0.528571 1
109 GLC GAL NAG GAL FUC A2G 0.515789 0.693878
110 A2G GAL NAG FUC GAL GLC 0.515789 0.693878
111 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.511111 0.702128
112 GLC G6D ACI GLC 0.505882 0.809524
113 GLC ACI G6D BGC 0.505882 0.809524
114 GLC ACI GLD GLC 0.505882 0.809524
115 GLC G6D ADH GLC 0.505882 0.809524
116 BGC BGC BGC BGC 0.5 0.970588
117 BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.970588
118 ABD 0.493976 0.772727
119 NGA GAL BGC 0.493506 0.755556
120 ACG 0.48913 0.717391
121 A2G GAL NAG FUC 0.488636 0.693878
122 FUC NAG GAL 0.487179 0.73913
123 FUC NDG GAL 0.487179 0.73913
124 GAL NDG FUC 0.487179 0.73913
125 GAL NAG FUC 0.487179 0.73913
126 GLC ACI G6D GLC 0.483146 0.755556
127 GLC ACI GLD GAL 0.483146 0.755556
128 GLC GLC G6D ACI GLC GLC GLC 0.483146 0.809524
129 DAF GLC 0.481481 0.809524
130 DAF BGC 0.481481 0.809524
131 GAL FUC 0.477612 0.970588
132 LAT NAG GAL 0.47561 0.755556
133 BGC GAL NAG GAL 0.47561 0.755556
134 GAL NAG GAL BGC 0.47561 0.755556
135 GLC GLC GLC BGC 0.473684 0.970588
136 MAN MAN MAN GLC 0.472973 0.970588
137 DAF GLC GLC 0.470588 0.809524
138 ACI GLD GLC GAL 0.470588 0.809524
139 DAF BGC GLC 0.470588 0.809524
140 GLA MBG 0.46875 0.971429
141 BMA BMA GLA BMA BMA 0.467532 0.970588
142 BGC BGC BGC XYS GAL 0.464286 0.916667
143 GLC GAL NAG GAL 0.464286 0.755556
144 GAL BGC BGC XYS 0.4625 0.916667
145 ACR GLC GLC GLC 0.462366 0.755556
146 GLC GLC DAF BGC 0.462366 0.755556
147 GLC GLC AGL HMC GLC 0.462366 0.755556
148 GLC GLC ACI G6D GLC GLC 0.462366 0.755556
149 M6P MAN MAN 0.461538 0.767442
150 BGC FUC GAL FUC A2G 0.460674 0.723404
151 GLC FUC GAL FUC A2G 0.460674 0.723404
152 FUC GAL NAG NON FUC 0.457447 0.618182
153 GLC AGL GLC HMC 0.456522 0.73913
154 GAL NAG GAL FUC 0.453488 0.73913
155 GLA NAG GAL FUC 0.453488 0.73913
156 GAL NGA GLA BGC GAL 0.453488 0.755556
157 FUC BGC GAL NAG GAL 0.451613 0.73913
158 NAG GAL BGC 0.451219 0.755556
159 MAG FUC GAL 0.45 0.708333
160 ARE 0.446809 0.755556
161 AAO 0.446809 0.755556
162 FUC NAG 0.445946 0.717391
163 FUC GAL NGA 0.445783 0.755556
164 GLC GLC FRU 0.444444 0.846154
165 NGA GLA GAL BGC 0.44186 0.755556
166 FUC GAL A2G 0.439024 0.73913
167 A2G GLA FUC 0.439024 0.73913
168 FUC GLA A2G 0.439024 0.73913
169 FUC GL0 A2G 0.439024 0.73913
170 A2G GAL FUC 0.439024 0.73913
171 NGA GAL FUC 0.439024 0.73913
172 NLC 0.438356 0.755556
173 5GO 0.438356 0.647059
174 GAL NDG 0.438356 0.755556
175 NDG GAL 0.438356 0.755556
176 TXT 0.436782 0.790698
177 GAC 0.436782 0.790698
178 AC1 GLC AC1 BGC 0.434783 0.772727
179 ACI GLD GLC ACI G6D BGC 0.434783 0.772727
180 BMA BMA MAN 0.434783 0.942857
181 DAF GLC DAF GLC GLC 0.434783 0.772727
182 BGC GLC AC1 GLC GLC GLC AC1 0.434783 0.772727
183 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.434783 0.772727
184 ACI G6D GLC ACI G6D BGC 0.434783 0.772727
185 U63 0.434783 0.868421
186 FUC BGC GAL NAG 0.433333 0.73913
187 SGA BGC 0.430556 0.6875
188 BGC BGC GLC 0.430556 0.970588
189 3SA 0.430233 0.755556
190 GAL BGC BGC BGC XYS BGC XYS 0.428571 0.916667
191 BGC BGC BGC XYS BGC XYS GAL 0.428571 0.916667
192 GLA EGA 0.428571 0.971429
193 BGB 0.428571 0.790698
194 DEL 0.428571 0.942857
195 GLC GLC GLC GLC GLC GLC 0.428571 0.970588
196 ACR GLC 0.426966 0.755556
197 ACR GLC GLC GLC GLC 0.426966 0.755556
198 MMA MAN 0.426471 0.971429
199 DR5 0.426471 0.971429
200 MAN MAN 0.424242 0.970588
201 LAT GLA 0.424242 0.970588
202 2M4 0.424242 0.970588
203 ABC 0.424242 0.717391
204 BGC BGC 0.424242 0.970588
205 GLC GLC BGC XYS BGC XYS 0.423529 0.916667
206 ACR 0.422222 0.755556
207 QPS 0.422222 0.755556
208 GAL GAL GLC EMB MEC 0.421053 0.641509
209 RAM GTR RAM GTR RAM GTR 0.419753 0.692308
210 BGC BGC XYS BGC 0.416667 0.916667
211 NAG GAL FUC FUC A2G 0.414894 0.693878
212 FUC GAL NAG A2G FUC 0.414894 0.693878
213 OPM MAN MAN 0.414634 0.829268
214 AOG FUC 0.414634 0.66
215 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.413793 0.916667
216 HMC AGL GLC 0.413793 0.73913
217 BGC BGC BGC XYS BGC BGC 0.413793 0.916667
218 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.413793 0.916667
219 GLA MAN RAM RAM ABE MAN GLA 0.411765 0.894737
220 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.410526 0.916667
221 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.410526 0.916667
222 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.410526 0.916667
223 GLC BGC BGC XYS BGC XYS XYS GAL 0.410526 0.916667
224 GAL BGC BGC BGC XYS XYS 0.410526 0.916667
225 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.408163 0.755556
226 AIG FUC 0.407407 0.66
227 MAN MAN MAN BMA MAN MAN MAN 0.406593 0.971429
228 NAG MAN GAL MAN MAN NAG GAL 0.40625 0.708333
229 MAN MAN MAN BMA MAN 0.404762 0.970588
230 BGC BGC XYS BGC XYS BGC XYS 0.402299 0.916667
231 GLC BGC BGC XYS BGC XYS XYS 0.402299 0.916667
232 BGC BGC BGC XYS BGC XYS XYS 0.402299 0.916667
233 FUC NAG GLA GAL 0.402174 0.723404
234 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.402062 0.68
235 AGL GLC HMC AGL GLC BGC 0.4 0.702128
Similar Binding Sites (Proteins are less than 50% similar to leader)
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