Receptor
PDB id Resolution Class Description Source Keywords
2ZHL 1.75 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN GALECTIN-9 N-TERMINAL CRD IN COMP N-ACETYLLACTOSAMINE DIMER (CRYSTAL 2) HOMO SAPIENS BETA SANDWICH CARBOHYDRATE BINDING PROTEIN GALECTIN SUGARPROTEIN
Ref.: STRUCTURAL ANALYSIS OF THE RECOGNITION MECHANISM OF POLY-N-ACETYLLACTOSAMINE BY THE HUMAN GALECTIN-9 N-CARBOHYDRATE RECOGNITION DOMAIN. GLYCOBIOLOGY V. 19 112 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG GAL GAL NAG A:1491;
B:1495;
C:1499;
D:1503;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 3 uM
748.685 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZHL 1.75 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN GALECTIN-9 N-TERMINAL CRD IN COMP N-ACETYLLACTOSAMINE DIMER (CRYSTAL 2) HOMO SAPIENS BETA SANDWICH CARBOHYDRATE BINDING PROTEIN GALECTIN SUGARPROTEIN
Ref.: STRUCTURAL ANALYSIS OF THE RECOGNITION MECHANISM OF POLY-N-ACETYLLACTOSAMINE BY THE HUMAN GALECTIN-9 N-CARBOHYDRATE RECOGNITION DOMAIN. GLYCOBIOLOGY V. 19 112 2009
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2EAL - GAL NGA A2G n/a n/a
2 2ZHL Kd = 3 uM NAG GAL GAL NAG n/a n/a
3 2ZHK Kd = 3 uM NAG GAL GAL NAG n/a n/a
4 2ZHN - NAG GAL NAG GAL GAL NAG n/a n/a
5 2ZHM - NAG GAL GAL NAG GAL n/a n/a
6 2EAK - LBT C12 H22 O11 C([C@@H]1[....
7 3WLU - LSE C18 H36 O10 Se Si C[Si](C)(C....
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 : 2ZHL; Ligand: NAG GAL GAL NAG; Similar sites found: 186
This union binding pocket(no: 1) in the query (biounit: 2zhl.bio4) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3N0Y APC 0.0001091 0.5089 None
2 5IXG OTP 0.00128 0.48363 None
3 4ZSI 4R1 0.0007477 0.45623 None
4 4ZSI GLP 0.0007852 0.45524 None
5 3EKK GS2 0.004112 0.4483 None
6 1QY1 PRZ 0.003207 0.43488 None
7 2Y88 2ER 0.008086 0.43354 None
8 5JFS 6K0 0.01245 0.42721 None
9 5N2F 8HW 0.00564 0.42493 None
10 4IPH 1FJ 0.0157 0.40664 None
11 3K3K A8S 0.01323 0.40381 None
12 3FW4 CAQ 0.02002 0.40149 None
13 2P7Q GG6 0.005386 0.40131 None
14 5J8O 6GZ 0.01206 0.40005 None
15 3ZO7 K6H 0.005251 0.40003 None
16 3RGA LSB 0.0004491 0.46651 1.35135
17 3E85 BSU 0.003358 0.45607 1.35135
18 5EPQ OLA 0.006851 0.4115 1.35135
19 2A1L PCW 0.001593 0.47675 2.02703
20 2Y6O 1N1 0.002312 0.44164 2.02703
21 3QRC SCR 0.000000943 0.43639 2.02703
22 5KO1 6UY 0.003117 0.42742 2.02703
23 2YG2 FLC 0.009022 0.4198 2.02703
24 1NYW DAU 0.005891 0.41861 2.02703
25 1IIU RTL 0.008734 0.41414 2.02703
26 4RYV ZEA 0.003686 0.41227 2.02703
27 2YG2 S1P 0.01209 0.40904 2.02703
28 5IXH OTP 0.03015 0.4085 2.02703
29 5MJA 7O3 0.007206 0.40832 2.02703
30 3W68 VIV 0.01678 0.40219 2.02703
31 4YGF AZM 0.01604 0.40152 2.02703
32 4TW7 37K 0.0149 0.40917 2.34375
33 3L5R 47X 0.03356 0.42977 2.45902
34 4WN5 MVC 0.0131 0.40736 2.6087
35 5BYZ 4WE 0.005049 0.4377 2.7027
36 3PP0 03Q 0.005917 0.42393 2.7027
37 3PQB VGP 0.009242 0.41297 2.7027
38 1TT8 PHB 0.014 0.41049 2.7027
39 5A89 ADP 0.04559 0.40009 2.7027
40 4K55 H6P 0.0001269 0.41234 3.22581
41 5DQ8 FLF 0.005189 0.42833 3.33333
42 5DRB 5FJ 0.0003175 0.51367 3.37838
43 5EOB 5QQ 0.0004723 0.51174 3.37838
44 4MNS 2AX 0.0006876 0.49949 3.37838
45 1DY4 SNP 0.007714 0.45358 3.37838
46 4FHD 0TT 0.004764 0.44026 3.37838
47 4FHD EEM 0.004764 0.44026 3.37838
48 4NV7 COA 0.006955 0.42675 3.37838
49 2VFT SOR 0.002234 0.42291 3.37838
50 2XVD AS6 0.009443 0.42165 3.37838
51 4RFR RHN 0.005797 0.41894 3.37838
52 4U03 TLL 0.03972 0.41304 3.37838
53 4U03 GTP 0.03972 0.41304 3.37838
54 5KEW 6SB 0.002459 0.4121 3.47222
55 1KGI T4A 0.01358 0.40819 3.93701
56 5HA0 LTD 0.002929 0.44353 4.05405
57 3LVW GSH 0.00783 0.43425 4.05405
58 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 0.01141 0.42602 4.05405
59 4H2V AMP 0.006234 0.42113 4.05405
60 5EYK 5U5 0.009322 0.42054 4.05405
61 4ZU4 4TG 0.006187 0.41761 4.05405
62 3MF2 AMP 0.009611 0.41383 4.05405
63 4C2V YJA 0.01598 0.41171 4.05405
64 3FW9 SLX 0.009963 0.40785 4.05405
65 4H2X G5A 0.01021 0.40734 4.05405
66 4H2W 5GP 0.01014 0.40557 4.05405
67 4H2W AMP 0.009315 0.40528 4.05405
68 5JSD ACY 1GN GAL 1GN BGC ACY GAL BGC 0.04007 0.40122 4.05405
69 1ZB6 GST 0.000545 0.48384 4.72973
70 1ZB6 DIN 0.000506 0.48384 4.72973
71 5J75 6GQ 0.0005481 0.45998 4.72973
72 1ERB ETR 0.01188 0.41539 4.72973
73 4BQY FNT 0.009359 0.41096 4.72973
74 5MY8 RXZ 0.02104 0.40044 4.72973
75 3W9R A8S 0.009743 0.40001 4.72973
76 3VQ2 LP4 LP5 MYR DAO 0.00557 0.44795 4.86111
77 5C3R AKG 0.01041 0.40504 4.95627
78 5C3R HMU 0.01041 0.40504 4.95627
79 1N5S ADL 0.0002379 0.47932 5.35714
80 3WDX BGC BGC GLC 0.0003627 0.47778 5.40541
81 2AG4 OLA 0.004662 0.46224 5.40541
82 2AG4 LP3 0.005135 0.46224 5.40541
83 5VC5 96M 0.002869 0.44551 5.40541
84 1GP6 QUE 0.004241 0.43573 5.40541
85 4QA8 PJZ 0.006222 0.42454 5.40541
86 4PFC 2QX 0.0084 0.42131 5.40541
87 4KBA 1QM 0.01238 0.41452 5.40541
88 2CM4 RCL 0.009923 0.4115 5.40541
89 3ILR SGN 0.03945 0.40746 5.40541
90 3ILR IXD 0.03945 0.40746 5.40541
91 3ILR SGN IXD 0.04352 0.40746 5.40541
92 4CYI ATP 0.0116 0.40473 5.40541
93 2OVW CBI 0.004196 0.40423 5.40541
94 4CQE CQE 0.03472 0.40253 5.40541
95 5FU3 BGC BGC BGC 0.0006739 0.42087 5.66038
96 3GC8 B45 0.003487 0.43315 6.08108
97 3E2M E2M 0.006674 0.42465 6.08108
98 3B00 16A 0.005917 0.40499 6.08108
99 2E3N 6CM 0.02632 0.40446 6.08108
100 1UNB AKG 0.005795 0.47661 6.75676
101 1UNB PN1 0.006481 0.47661 6.75676
102 4U0W 16G 0.0008811 0.45524 6.75676
103 4DE9 VTP 0.004681 0.43933 6.75676
104 1GT4 UNA 0.002081 0.43558 6.75676
105 5ML3 DL3 0.01459 0.42168 6.75676
106 4LOO SB4 0.006266 0.41538 6.75676
107 4RFM 3P6 0.02949 0.41409 6.75676
108 1MJJ HAL 0.02067 0.40082 6.75676
109 1OGX EQU 0.003251 0.42429 6.87023
110 2HKA C3S 0.01285 0.40441 6.92308
111 3E8N ATP 0.001999 0.4717 7.43243
112 3E8N VRA 0.001999 0.4717 7.43243
113 2GJ5 VD3 0.01067 0.42855 7.43243
114 2XMY CDK 0.02631 0.42645 7.43243
115 4QJP V1F 0.006666 0.42467 7.43243
116 5MZI FYK 0.04252 0.4146 7.43243
117 5MZI FAD 0.04143 0.4146 7.43243
118 4CSV STI 0.01584 0.4034 7.43243
119 3IAL PR8 0.01633 0.40276 7.43243
120 3PG7 PTY 0.0276 0.40113 7.43243
121 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.002116 0.43955 7.9646
122 3AGC RCC 0.002427 0.44904 8.10811
123 1DZK PRZ 0.005848 0.4147 8.10811
124 1UU6 BGC BGC BGC BGC 0.01898 0.40405 8.10811
125 4ZZW CBI 0.03133 0.40381 8.10811
126 1M15 ARG 0.03257 0.40089 8.10811
127 1M15 ADP 0.03257 0.40089 8.10811
128 4F7E 0SH 0.004464 0.44981 8.16327
129 3L9R L9Q 0.006467 0.43612 8.16327
130 3L9R L9R 0.01104 0.42451 8.16327
131 1EWF PC1 0.03208 0.40711 8.78378
132 4WVO 3UZ 0.004053 0.4382 9.45946
133 3SXS PP2 0.004952 0.42407 9.45946
134 1U0A BGC BGC BGC BGC 0.005912 0.41448 9.45946
135 4LA7 A1O 0.01168 0.41286 9.45946
136 1MH5 HAL 0.01289 0.41079 9.45946
137 5A3T MMK 0.02066 0.40741 9.45946
138 1UMZ BGC BGC XYS BGC XYS GAL 0.003604 0.40531 9.45946
139 2E56 MYR 0.02197 0.40607 9.72222
140 1LEK GLU GLN TYR LYS PHE TYR SER VAL 0.0479 0.41354 10.101
141 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.01803 0.41154 10.101
142 3Q8G PEE 0.006788 0.45214 10.1351
143 1VA6 P2S 0.02247 0.41114 10.1351
144 1VA6 ADP 0.021 0.4105 10.1351
145 1OJJ GLC GAL 0.003744 0.41044 10.1351
146 4AG8 AXI 0.02442 0.40827 10.1351
147 1OJK GLC BGC 0.004444 0.4072 10.1351
148 3TAY MN0 0.01624 0.40593 10.1351
149 4KYS VIB 0.004203 0.40007 10.1351
150 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 0.002129 0.46143 10.8108
151 3M3R BCD 0.006197 0.44259 10.8108
152 5BVE 4VG 0.0247 0.42603 10.8108
153 1ZM1 BGC BGC BGC 0.00512 0.41739 11.4865
154 1ODM ASV 0.0004714 0.48022 12.1622
155 5EW9 5VC 0.03036 0.43786 12.1622
156 1QIN GIP 0.008661 0.42738 12.1622
157 5H2U 1N1 0.007817 0.41088 12.1622
158 4JH6 FCN 0.00496 0.40176 12.3188
159 4GJ3 0XP 0.0065 0.43229 12.8378
160 3MTX PGT 0.01071 0.4228 14.1892
161 5TA6 79D 0.02355 0.40081 14.1892
162 4QCK ASD 0.0205 0.42832 14.8649
163 5FXD H7Y 0.008193 0.40788 14.8649
164 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.03145 0.40373 15.3061
165 2RG0 CTT 0.002938 0.44649 15.5405
166 2RFZ CTR 0.01042 0.40692 15.5405
167 2Z77 HE7 0.0007807 0.46787 15.8273
168 3QUZ QUV 0.002221 0.47584 16.1616
169 3RUG DB6 0.002201 0.47246 16.1616
170 5FKP 6UL 0.0009597 0.47025 16.1616
171 3SCM LGN 0.004603 0.46175 16.1616
172 3G08 FEE 0.0206 0.42681 16.1616
173 4WO4 JLS 0.003568 0.4558 18
174 5U98 1KX 0.002071 0.46779 18.1818
175 3HUJ AGH 0.02734 0.41737 18.1818
176 5FBN 5WF 0.006313 0.43544 18.2432
177 4HWT 1B2 0.007803 0.41286 18.2432
178 5L2J 70E 0.003579 0.47471 18.3673
179 5L2J 6UL 0.005806 0.46217 18.3673
180 5A65 TPP 0.006827 0.41746 19.5946
181 5A5W GUO 0.04237 0.40087 20.2703
182 4XT2 43L 0.01119 0.41065 20.6612
183 3IS2 FAD 0.02124 0.40431 22.973
184 3M3E GAL A2G NPO 0.00000003205 0.51641 27.7027
185 1QKQ MAN 0.00000004824 0.43411 42.2535
186 3VV1 GAL FUC 0.0000000005198 0.57 45.9459
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