Receptor
PDB id Resolution Class Description Source Keywords
3WV6 1.95 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A PROTEASE-RESISTANT MUTANT FORM OF HUM GALECTIN-9 HOMO SAPIENS BETA SANDWICH CARBOHYDRATE-BINDING OLIGOSACCHARIDE SUGAR PROTEIN
Ref.: X-RAY STRUCTURE OF A PROTEASE-RESISTANT MUTANT FORM GALECTIN-9 HAVING TWO CARBOHYDRATE RECOGNITION DOMA A METAL-BINDING SITE BIOCHEM.BIOPHYS.RES.COMMUN. V. 490 1287 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:408;
A:407;
B:406;
A:406;
A:409;
B:409;
A:410;
A:408;
B:410;
B:407;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ZN A:401;
B:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
GAL BGC B:402;
A:402;
Valid;
Valid;
none;
none;
submit data
342.297 n/a O(C1O...
GAL GLC B:404;
A:404;
Valid;
Valid;
none;
none;
submit data
342.297 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WV6 1.95 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A PROTEASE-RESISTANT MUTANT FORM OF HUM GALECTIN-9 HOMO SAPIENS BETA SANDWICH CARBOHYDRATE-BINDING OLIGOSACCHARIDE SUGAR PROTEIN
Ref.: X-RAY STRUCTURE OF A PROTEASE-RESISTANT MUTANT FORM GALECTIN-9 HAVING TWO CARBOHYDRATE RECOGNITION DOMA A METAL-BINDING SITE BIOCHEM.BIOPHYS.RES.COMMUN. V. 490 1287 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3WV6 - GAL BGC 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 355 families.
1 3WV6 - GAL BGC 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: GAL BGC; Similar ligands found: 339
No: Ligand ECFP6 Tc MDL keys Tc
1 LBT 1 1
2 GLC BGC 1 1
3 MAL MAL 1 0.970588
4 BGC GLC 1 1
5 CBI 1 1
6 GAL BGC 1 1
7 CBK 1 1
8 BGC BMA 1 1
9 N9S 1 1
10 GLA GLA 1 1
11 BGC GAL 1 1
12 GAL GLC 1 1
13 GLC GAL 1 1
14 BMA BMA 1 1
15 GLA GAL 1 1
16 BMA GAL 1 1
17 LAT 1 1
18 MAB 1 1
19 MAL 1 1
20 B2G 1 1
21 CEX 0.909091 1
22 BGC GLC GLC GLC GLC 0.909091 1
23 GLC GLC GLC GLC GLC 0.909091 1
24 CTR 0.909091 1
25 MTT 0.909091 1
26 CE5 0.909091 1
27 BMA BMA BMA BMA BMA 0.909091 1
28 CTT 0.909091 1
29 CT3 0.909091 1
30 GLC GLC GLC GLC GLC GLC GLC 0.909091 1
31 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
32 BGC BGC BGC GLC 0.909091 1
33 CEY 0.909091 1
34 MAN MAN BMA BMA BMA BMA 0.909091 1
35 BMA BMA BMA 0.909091 1
36 B4G 0.909091 1
37 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
38 GLC GAL GAL 0.909091 1
39 GLA GAL GLC 0.909091 1
40 GAL GAL GAL 0.909091 1
41 MAN BMA BMA BMA BMA 0.909091 1
42 MLR 0.909091 1
43 CE8 0.909091 1
44 MT7 0.909091 1
45 CE6 0.909091 1
46 GLC BGC BGC BGC BGC BGC 0.909091 1
47 GLC GLC BGC 0.909091 1
48 GLC BGC BGC 0.909091 1
49 GLC BGC GLC 0.909091 1
50 BMA MAN BMA 0.909091 1
51 GLC GLC BGC GLC GLC GLC GLC 0.909091 1
52 BGC GLC GLC 0.909091 1
53 BGC GLC GLC GLC 0.909091 1
54 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
55 DXI 0.909091 1
56 BMA BMA BMA BMA BMA BMA 0.909091 1
57 GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
58 GLC BGC BGC BGC BGC 0.909091 1
59 BGC BGC BGC BGC BGC BGC 0.909091 1
60 MAN BMA BMA 0.909091 1
61 MAN BMA BMA BMA BMA BMA 0.833333 0.970588
62 BMA BMA BMA BMA BMA BMA MAN 0.833333 0.970588
63 GLA GAL GAL 0.816327 1
64 GLA GAL BGC 0.816327 1
65 BGC BGC BGC BGC 0.754717 1
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
67 BMA BMA GLA BMA BMA 0.689655 1
68 LAT GLA 0.680851 1
69 GLC GLC GLC BGC 0.672414 1
70 BGC BGC GLC 0.660377 1
71 U63 0.647059 0.891892
72 DR5 0.64 0.942857
73 MMA MAN 0.64 0.942857
74 GLA EGA 0.634615 0.942857
75 BMA BMA MAN 0.615385 0.970588
76 GAL FUC 0.615385 0.941176
77 BGC BGC 0.612245 1
78 MAN MAN 0.612245 1
79 2M4 0.612245 1
80 GLC GAL FUC 0.610169 0.970588
81 GLC GLC GLC GLC GLC GLC 0.610169 1
82 FUC LAT 0.610169 0.970588
83 FUC GAL GLC 0.610169 0.970588
84 BGC GAL FUC 0.610169 0.970588
85 LAT FUC 0.610169 0.970588
86 BGC GLA GAL FUC 0.609375 0.970588
87 GAL NAG GAL BGC 0.606061 0.733333
88 LAT NAG GAL 0.606061 0.733333
89 GLC GLC BGC XYS BGC XYS 0.606061 0.942857
90 BGC GAL NAG GAL 0.606061 0.733333
91 MAN GLC 0.6 1
92 LB2 0.6 1
93 M3M 0.6 1
94 SGA BGC 0.6 0.702128
95 MAL EDO 0.592593 0.942857
96 BGC BGC BGC XYS GAL 0.588235 0.942857
97 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
98 GLC GAL NAG GAL 0.588235 0.733333
99 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
100 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
101 NGA GAL BGC 0.587302 0.733333
102 TRE 0.581395 1
103 ABD 0.57971 0.75
104 NDG GAL 0.578947 0.733333
105 GAL NDG 0.578947 0.733333
106 5GO 0.578947 0.66
107 NLC 0.578947 0.733333
108 DEL 0.574074 0.970588
109 GAL NGA GLA BGC GAL 0.571429 0.733333
110 MVP 0.571429 0.733333
111 GAL BGC BGC XYS 0.569231 0.942857
112 GLC GLC FRU 0.569231 0.868421
113 BMA MAN 0.566038 0.914286
114 GLC GLC XYP 0.557377 1
115 BGC BGC XYS BGC 0.552239 0.942857
116 NAG GAL BGC 0.552239 0.733333
117 GLA GAL BGC 5VQ 0.551724 0.891892
118 G2F BGC BGC BGC BGC BGC 0.55 0.868421
119 GLA MBG 0.54902 0.942857
120 GLC ACI GLD GLC 0.547945 0.785714
121 GLC G6D ACI GLC 0.547945 0.785714
122 GLC ACI G6D BGC 0.547945 0.785714
123 GLC G6D ADH GLC 0.547945 0.785714
124 GLC BGC BGC BGC 0.545455 1
125 BGC BGC BGC ASO BGC BGC ASO 0.545455 1
126 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
127 BGC BGC BGC 0.545455 1
128 BGC BGC BGC GLC BGC BGC 0.545455 1
129 BGC BGC BGC BGC BGC 0.545455 1
130 MAN MAN BMA 0.535714 1
131 NGA GLA GAL BGC 0.535211 0.733333
132 BMA MAN MAN 0.534483 1
133 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
134 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
135 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
136 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
137 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
138 GLA GAL GLC NBU 0.52459 0.846154
139 FUC BGC GAL 0.52459 0.970588
140 GLC ACI GLD GAL 0.519481 0.733333
141 GLC ACI G6D GLC 0.519481 0.733333
142 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.785714
143 GLC BGC BGC BGC XYS BGC XYS XYS 0.513514 0.916667
144 DOM 0.509091 0.942857
145 GAL GAL SO4 0.508197 0.702128
146 DMU 0.507937 0.785714
147 LMT 0.507937 0.785714
148 LMU 0.507937 0.785714
149 G2I 0.507937 0.767442
150 G3I 0.507937 0.767442
151 OXZ BGC BGC 0.507937 0.6875
152 UMQ 0.507937 0.785714
153 GLC AGL GLC HMC 0.506329 0.717391
154 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
155 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
156 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
157 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
158 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
159 NAG GAL GAL 0.5 0.733333
160 SOR GLC GLC 0.5 0.970588
161 GAL GAL GLC EMB MEC 0.5 0.622642
162 FMO 0.5 0.868421
163 MAN BMA NAG 0.5 0.733333
164 GLA GAL NAG 0.5 0.733333
165 8VZ 0.5 0.673469
166 GLC GLC ACI G6D GLC GLC 0.493827 0.733333
167 GLC GLC AGL HMC GLC 0.493827 0.733333
168 GLC GLC DAF BGC 0.493827 0.733333
169 AAO 0.493827 0.733333
170 ARE 0.493827 0.733333
171 ACR GLC GLC GLC 0.493827 0.733333
172 GLC GLC XYS 0.492308 0.970588
173 CGC 0.491525 0.941176
174 5QP 0.491228 0.885714
175 MDM 0.490909 0.942857
176 RZM 0.490909 0.688889
177 M13 0.490909 0.942857
178 GAL MBG 0.490909 0.942857
179 GLC GLC GLC G6D ADH GLC 0.487805 0.6875
180 BGC BGC G2F SHG 0.485714 0.846154
181 MAN NAG GAL 0.485294 0.733333
182 GAL NAG MAN 0.485294 0.733333
183 6UZ 0.484848 0.846154
184 SOR GLC GLC GLC 0.484848 0.970588
185 LAG 0.484848 0.6
186 MAN MNM 0.482759 0.75
187 GAL BGC NAG GAL 0.478873 0.733333
188 10M 0.477612 0.733333
189 GTM BGC BGC 0.477612 0.868421
190 MAN MAN MAN MAN 0.476923 1
191 MAN MAN BMA MAN 0.476923 1
192 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
193 NAG BMA 0.47619 0.653061
194 GAL NGA 0.47541 0.733333
195 GAL A2G 0.47541 0.733333
196 A2G GAL 0.47541 0.733333
197 BMA GLA 0.472727 1
198 LAK 0.472727 1
199 GAL GAL 0.472727 1
200 GLA GLC 0.472727 1
201 MLB 0.472727 1
202 GLA BMA 0.472727 1
203 BGC GLA 0.472727 1
204 MAN BMA 0.472727 1
205 GLA BGC 0.472727 1
206 NPJ 0.470588 0.622642
207 FUC GAL NAG GAL BGC 0.469136 0.717391
208 MAN MAN MAN GLC 0.46875 1
209 ABL 0.466667 0.702128
210 BMA FRU 0.465517 0.842105
211 FRU GAL 0.465517 0.842105
212 NOY BGC 0.465517 0.75
213 TM6 0.463768 0.916667
214 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
215 LSE 0.462687 0.6875
216 GLA GLA FUC 0.460317 0.970588
217 FUC GAL GLA 0.460317 0.970588
218 GAL GAL FUC 0.460317 0.970588
219 GLA GAL FUC 0.460317 0.970588
220 FUC GLA GLA 0.460317 0.970588
221 DAF BGC 0.458333 0.785714
222 DAF GLC 0.458333 0.785714
223 IFM BMA 0.457627 0.744186
224 BGC OXZ 0.457627 0.666667
225 IFM BGC 0.457627 0.744186
226 BMA IFM 0.457627 0.744186
227 9MR 0.457627 0.744186
228 GLO GLC GLC 0.457143 0.942857
229 RCB 0.457143 0.622642
230 GLC GLC GLC GLC GLC BGC 0.45614 1
231 GLC GLC GLC 0.45614 1
232 GLC GLC GLC GLC BGC 0.45614 1
233 MAN MAN MAN 0.45614 1
234 GLC 0.454545 0.848485
235 BMA 0.454545 0.848485
236 GXL 0.454545 0.848485
237 WOO 0.454545 0.848485
238 GIV 0.454545 0.848485
239 GAL 0.454545 0.848485
240 MAN 0.454545 0.848485
241 BGC 0.454545 0.848485
242 ALL 0.454545 0.848485
243 GLA 0.454545 0.848485
244 GLC GLC GLC GLC 0.453125 1
245 MGL SGC GLC GLC 0.450704 0.868421
246 CM5 0.450704 0.891892
247 MAN MAN MAN BMA MAN 0.450704 1
248 BGC BGC SGC MGL 0.450704 0.868421
249 GLC DMJ 0.45 0.727273
250 A2G GAL BGC FUC 0.45 0.717391
251 GLC GLC GLC PO4 SGC GLC 0.45 0.673469
252 NOJ GLC 0.45 0.727273
253 PA1 GCS 0.448276 0.804878
254 GCS GCS 0.448276 0.804878
255 M5S 0.447761 1
256 MAN BMA MAN MAN MAN 0.447761 1
257 GLC GLC XYS XYS 0.447761 0.914286
258 DAF BGC GLC 0.447368 0.785714
259 TXT 0.447368 0.767442
260 GAC 0.447368 0.767442
261 DAF GLC GLC 0.447368 0.785714
262 ACI GLD GLC GAL 0.447368 0.785714
263 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
264 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
265 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
266 NAG GAL GAL NAG GAL 0.445946 0.6875
267 NAG GAL GAL NAG 0.445946 0.6875
268 MA4 0.444444 0.891892
269 QV4 0.444444 0.733333
270 GLO GLC GLC GLC 0.444444 0.942857
271 MAN DGO 0.440678 0.914286
272 3SA 0.44 0.733333
273 Z6J 0.439024 0.742857
274 AHR 0.439024 0.742857
275 32O 0.439024 0.742857
276 FUB 0.439024 0.742857
277 RIB 0.439024 0.742857
278 T6P 0.438596 0.767442
279 GYP 0.4375 0.857143
280 AMG 0.4375 0.857143
281 MMA 0.4375 0.857143
282 MBG 0.4375 0.857143
283 4MU BGC BGC 0.434211 0.767442
284 ISX 0.433333 0.761905
285 MAN 7D1 0.431034 0.888889
286 QPS 0.43038 0.733333
287 ACR 0.43038 0.733333
288 4MU BGC BGC BGC BGC 0.428571 0.767442
289 GAL MGC 0.428571 0.702128
290 GAL NGA A2G 0.426471 0.673469
291 FUC NAG GAL 0.422535 0.717391
292 FUC NDG GAL 0.422535 0.717391
293 GAL NAG FUC 0.422535 0.717391
294 GAL NDG FUC 0.422535 0.717391
295 KHO 0.421053 0.888889
296 HMC AGL GLC 0.421053 0.717391
297 GCS GCS GCS GCS GCS 0.419355 0.804878
298 GCS GCS GCS GCS GCS GCS 0.419355 0.804878
299 GCS GCS GCS 0.419355 0.804878
300 GAL NAG GAL 0.418919 0.702128
301 GAL NGT 0.41791 0.66
302 P3M 0.41791 0.767442
303 NGT GAL 0.41791 0.66
304 ACR GLC GLC GLC GLC 0.417722 0.733333
305 ACR GLC 0.417722 0.733333
306 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
307 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
308 TUR 0.416667 0.842105
309 BTU 0.416667 0.842105
310 GLA MAN ABE 0.414286 0.916667
311 NAG NDG BMA 0.413333 0.634615
312 NAG NAG BMA 0.413333 0.634615
313 AHR AHR AHR 0.410714 0.857143
314 FUB AHR AHR 0.410714 0.857143
315 GLF B8D 0.409836 0.775
316 VAM 0.409836 0.868421
317 ACI G6D GLC ACI G6D BGC 0.409639 0.75
318 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.75
319 AC1 GLC AC1 BGC 0.409639 0.75
320 DAF GLC DAF GLC GLC 0.409639 0.75
321 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.75
322 ACI GLD GLC ACI G6D BGC 0.409639 0.75
323 MAN MMA MAN 0.409091 0.942857
324 AHR AHR 0.407407 0.857143
325 FUB AHR 0.407407 0.857143
326 NAG BMA MAN MAN MAN MAN 0.407407 0.733333
327 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.680851
328 4U0 0.406593 0.66
329 GLA MAN RAM ABE 0.405063 0.891892
330 BGC BGC SSG PIH 0.405063 0.767442
331 M1P 0.403846 0.697674
332 GL1 0.403846 0.697674
333 XGP 0.403846 0.697674
334 G1P 0.403846 0.697674
335 MAN IFM 0.403226 0.761905
336 GLC IFM 0.403226 0.761905
337 XZZ BGC BGC 0.402439 0.702128
338 ACG 0.402299 0.695652
339 FUC GAL 0.4 0.941176
Ligand no: 2; Ligand: GAL GLC; Similar ligands found: 339
No: Ligand ECFP6 Tc MDL keys Tc
1 LBT 1 1
2 GLC BGC 1 1
3 MAL MAL 1 0.970588
4 BGC GLC 1 1
5 CBI 1 1
6 GAL BGC 1 1
7 CBK 1 1
8 BGC BMA 1 1
9 N9S 1 1
10 GLA GLA 1 1
11 BGC GAL 1 1
12 GAL GLC 1 1
13 GLC GAL 1 1
14 BMA BMA 1 1
15 GLA GAL 1 1
16 BMA GAL 1 1
17 LAT 1 1
18 MAB 1 1
19 MAL 1 1
20 B2G 1 1
21 CEX 0.909091 1
22 BGC GLC GLC GLC GLC 0.909091 1
23 GLC GLC GLC GLC GLC 0.909091 1
24 CTR 0.909091 1
25 MTT 0.909091 1
26 CE5 0.909091 1
27 BMA BMA BMA BMA BMA 0.909091 1
28 CTT 0.909091 1
29 CT3 0.909091 1
30 GLC GLC GLC GLC GLC GLC GLC 0.909091 1
31 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
32 BGC BGC BGC GLC 0.909091 1
33 CEY 0.909091 1
34 MAN MAN BMA BMA BMA BMA 0.909091 1
35 BMA BMA BMA 0.909091 1
36 B4G 0.909091 1
37 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
38 GLC GAL GAL 0.909091 1
39 GLA GAL GLC 0.909091 1
40 GAL GAL GAL 0.909091 1
41 MAN BMA BMA BMA BMA 0.909091 1
42 MLR 0.909091 1
43 CE8 0.909091 1
44 MT7 0.909091 1
45 CE6 0.909091 1
46 GLC BGC BGC BGC BGC BGC 0.909091 1
47 GLC GLC BGC 0.909091 1
48 GLC BGC BGC 0.909091 1
49 GLC BGC GLC 0.909091 1
50 BMA MAN BMA 0.909091 1
51 GLC GLC BGC GLC GLC GLC GLC 0.909091 1
52 BGC GLC GLC 0.909091 1
53 BGC GLC GLC GLC 0.909091 1
54 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
55 DXI 0.909091 1
56 BMA BMA BMA BMA BMA BMA 0.909091 1
57 GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
58 GLC BGC BGC BGC BGC 0.909091 1
59 BGC BGC BGC BGC BGC BGC 0.909091 1
60 MAN BMA BMA 0.909091 1
61 MAN BMA BMA BMA BMA BMA 0.833333 0.970588
62 BMA BMA BMA BMA BMA BMA MAN 0.833333 0.970588
63 GLA GAL GAL 0.816327 1
64 GLA GAL BGC 0.816327 1
65 BGC BGC BGC BGC 0.754717 1
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
67 BMA BMA GLA BMA BMA 0.689655 1
68 LAT GLA 0.680851 1
69 GLC GLC GLC BGC 0.672414 1
70 BGC BGC GLC 0.660377 1
71 U63 0.647059 0.891892
72 DR5 0.64 0.942857
73 MMA MAN 0.64 0.942857
74 GLA EGA 0.634615 0.942857
75 BMA BMA MAN 0.615385 0.970588
76 GAL FUC 0.615385 0.941176
77 BGC BGC 0.612245 1
78 MAN MAN 0.612245 1
79 2M4 0.612245 1
80 GLC GAL FUC 0.610169 0.970588
81 GLC GLC GLC GLC GLC GLC 0.610169 1
82 FUC LAT 0.610169 0.970588
83 FUC GAL GLC 0.610169 0.970588
84 BGC GAL FUC 0.610169 0.970588
85 LAT FUC 0.610169 0.970588
86 BGC GLA GAL FUC 0.609375 0.970588
87 GAL NAG GAL BGC 0.606061 0.733333
88 LAT NAG GAL 0.606061 0.733333
89 GLC GLC BGC XYS BGC XYS 0.606061 0.942857
90 BGC GAL NAG GAL 0.606061 0.733333
91 MAN GLC 0.6 1
92 LB2 0.6 1
93 M3M 0.6 1
94 SGA BGC 0.6 0.702128
95 MAL EDO 0.592593 0.942857
96 BGC BGC BGC XYS GAL 0.588235 0.942857
97 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
98 GLC GAL NAG GAL 0.588235 0.733333
99 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
100 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
101 NGA GAL BGC 0.587302 0.733333
102 TRE 0.581395 1
103 ABD 0.57971 0.75
104 NDG GAL 0.578947 0.733333
105 GAL NDG 0.578947 0.733333
106 5GO 0.578947 0.66
107 NLC 0.578947 0.733333
108 DEL 0.574074 0.970588
109 GAL NGA GLA BGC GAL 0.571429 0.733333
110 MVP 0.571429 0.733333
111 GAL BGC BGC XYS 0.569231 0.942857
112 GLC GLC FRU 0.569231 0.868421
113 BMA MAN 0.566038 0.914286
114 GLC GLC XYP 0.557377 1
115 BGC BGC XYS BGC 0.552239 0.942857
116 NAG GAL BGC 0.552239 0.733333
117 GLA GAL BGC 5VQ 0.551724 0.891892
118 G2F BGC BGC BGC BGC BGC 0.55 0.868421
119 GLA MBG 0.54902 0.942857
120 GLC ACI GLD GLC 0.547945 0.785714
121 GLC G6D ACI GLC 0.547945 0.785714
122 GLC ACI G6D BGC 0.547945 0.785714
123 GLC G6D ADH GLC 0.547945 0.785714
124 GLC BGC BGC BGC 0.545455 1
125 BGC BGC BGC ASO BGC BGC ASO 0.545455 1
126 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
127 BGC BGC BGC 0.545455 1
128 BGC BGC BGC GLC BGC BGC 0.545455 1
129 BGC BGC BGC BGC BGC 0.545455 1
130 MAN MAN BMA 0.535714 1
131 NGA GLA GAL BGC 0.535211 0.733333
132 BMA MAN MAN 0.534483 1
133 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
134 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
135 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
136 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
137 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
138 GLA GAL GLC NBU 0.52459 0.846154
139 FUC BGC GAL 0.52459 0.970588
140 GLC ACI GLD GAL 0.519481 0.733333
141 GLC ACI G6D GLC 0.519481 0.733333
142 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.785714
143 GLC BGC BGC BGC XYS BGC XYS XYS 0.513514 0.916667
144 DOM 0.509091 0.942857
145 GAL GAL SO4 0.508197 0.702128
146 DMU 0.507937 0.785714
147 LMT 0.507937 0.785714
148 LMU 0.507937 0.785714
149 G2I 0.507937 0.767442
150 G3I 0.507937 0.767442
151 OXZ BGC BGC 0.507937 0.6875
152 UMQ 0.507937 0.785714
153 GLC AGL GLC HMC 0.506329 0.717391
154 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
155 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
156 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
157 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
158 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
159 NAG GAL GAL 0.5 0.733333
160 SOR GLC GLC 0.5 0.970588
161 GAL GAL GLC EMB MEC 0.5 0.622642
162 FMO 0.5 0.868421
163 MAN BMA NAG 0.5 0.733333
164 GLA GAL NAG 0.5 0.733333
165 8VZ 0.5 0.673469
166 GLC GLC ACI G6D GLC GLC 0.493827 0.733333
167 GLC GLC AGL HMC GLC 0.493827 0.733333
168 GLC GLC DAF BGC 0.493827 0.733333
169 AAO 0.493827 0.733333
170 ARE 0.493827 0.733333
171 ACR GLC GLC GLC 0.493827 0.733333
172 GLC GLC XYS 0.492308 0.970588
173 CGC 0.491525 0.941176
174 5QP 0.491228 0.885714
175 MDM 0.490909 0.942857
176 RZM 0.490909 0.688889
177 M13 0.490909 0.942857
178 GAL MBG 0.490909 0.942857
179 GLC GLC GLC G6D ADH GLC 0.487805 0.6875
180 BGC BGC G2F SHG 0.485714 0.846154
181 MAN NAG GAL 0.485294 0.733333
182 GAL NAG MAN 0.485294 0.733333
183 6UZ 0.484848 0.846154
184 SOR GLC GLC GLC 0.484848 0.970588
185 LAG 0.484848 0.6
186 MAN MNM 0.482759 0.75
187 GAL BGC NAG GAL 0.478873 0.733333
188 10M 0.477612 0.733333
189 GTM BGC BGC 0.477612 0.868421
190 MAN MAN MAN MAN 0.476923 1
191 MAN MAN BMA MAN 0.476923 1
192 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
193 NAG BMA 0.47619 0.653061
194 GAL NGA 0.47541 0.733333
195 GAL A2G 0.47541 0.733333
196 A2G GAL 0.47541 0.733333
197 BMA GLA 0.472727 1
198 LAK 0.472727 1
199 GAL GAL 0.472727 1
200 GLA GLC 0.472727 1
201 MLB 0.472727 1
202 GLA BMA 0.472727 1
203 BGC GLA 0.472727 1
204 MAN BMA 0.472727 1
205 GLA BGC 0.472727 1
206 NPJ 0.470588 0.622642
207 FUC GAL NAG GAL BGC 0.469136 0.717391
208 MAN MAN MAN GLC 0.46875 1
209 ABL 0.466667 0.702128
210 BMA FRU 0.465517 0.842105
211 FRU GAL 0.465517 0.842105
212 NOY BGC 0.465517 0.75
213 TM6 0.463768 0.916667
214 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
215 LSE 0.462687 0.6875
216 GLA GLA FUC 0.460317 0.970588
217 FUC GAL GLA 0.460317 0.970588
218 GAL GAL FUC 0.460317 0.970588
219 GLA GAL FUC 0.460317 0.970588
220 FUC GLA GLA 0.460317 0.970588
221 DAF BGC 0.458333 0.785714
222 DAF GLC 0.458333 0.785714
223 IFM BMA 0.457627 0.744186
224 BGC OXZ 0.457627 0.666667
225 IFM BGC 0.457627 0.744186
226 BMA IFM 0.457627 0.744186
227 9MR 0.457627 0.744186
228 GLO GLC GLC 0.457143 0.942857
229 RCB 0.457143 0.622642
230 GLC GLC GLC GLC GLC BGC 0.45614 1
231 GLC GLC GLC 0.45614 1
232 GLC GLC GLC GLC BGC 0.45614 1
233 MAN MAN MAN 0.45614 1
234 GLC 0.454545 0.848485
235 BMA 0.454545 0.848485
236 GXL 0.454545 0.848485
237 WOO 0.454545 0.848485
238 GIV 0.454545 0.848485
239 GAL 0.454545 0.848485
240 MAN 0.454545 0.848485
241 BGC 0.454545 0.848485
242 ALL 0.454545 0.848485
243 GLA 0.454545 0.848485
244 GLC GLC GLC GLC 0.453125 1
245 MGL SGC GLC GLC 0.450704 0.868421
246 CM5 0.450704 0.891892
247 MAN MAN MAN BMA MAN 0.450704 1
248 BGC BGC SGC MGL 0.450704 0.868421
249 GLC DMJ 0.45 0.727273
250 A2G GAL BGC FUC 0.45 0.717391
251 GLC GLC GLC PO4 SGC GLC 0.45 0.673469
252 NOJ GLC 0.45 0.727273
253 PA1 GCS 0.448276 0.804878
254 GCS GCS 0.448276 0.804878
255 M5S 0.447761 1
256 MAN BMA MAN MAN MAN 0.447761 1
257 GLC GLC XYS XYS 0.447761 0.914286
258 DAF BGC GLC 0.447368 0.785714
259 TXT 0.447368 0.767442
260 GAC 0.447368 0.767442
261 DAF GLC GLC 0.447368 0.785714
262 ACI GLD GLC GAL 0.447368 0.785714
263 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
264 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
265 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
266 NAG GAL GAL NAG GAL 0.445946 0.6875
267 NAG GAL GAL NAG 0.445946 0.6875
268 MA4 0.444444 0.891892
269 QV4 0.444444 0.733333
270 GLO GLC GLC GLC 0.444444 0.942857
271 MAN DGO 0.440678 0.914286
272 3SA 0.44 0.733333
273 Z6J 0.439024 0.742857
274 AHR 0.439024 0.742857
275 32O 0.439024 0.742857
276 FUB 0.439024 0.742857
277 RIB 0.439024 0.742857
278 T6P 0.438596 0.767442
279 GYP 0.4375 0.857143
280 AMG 0.4375 0.857143
281 MMA 0.4375 0.857143
282 MBG 0.4375 0.857143
283 4MU BGC BGC 0.434211 0.767442
284 ISX 0.433333 0.761905
285 MAN 7D1 0.431034 0.888889
286 QPS 0.43038 0.733333
287 ACR 0.43038 0.733333
288 4MU BGC BGC BGC BGC 0.428571 0.767442
289 GAL MGC 0.428571 0.702128
290 GAL NGA A2G 0.426471 0.673469
291 FUC NAG GAL 0.422535 0.717391
292 FUC NDG GAL 0.422535 0.717391
293 GAL NAG FUC 0.422535 0.717391
294 GAL NDG FUC 0.422535 0.717391
295 KHO 0.421053 0.888889
296 HMC AGL GLC 0.421053 0.717391
297 GCS GCS GCS GCS GCS 0.419355 0.804878
298 GCS GCS GCS GCS GCS GCS 0.419355 0.804878
299 GCS GCS GCS 0.419355 0.804878
300 GAL NAG GAL 0.418919 0.702128
301 GAL NGT 0.41791 0.66
302 P3M 0.41791 0.767442
303 NGT GAL 0.41791 0.66
304 ACR GLC GLC GLC GLC 0.417722 0.733333
305 ACR GLC 0.417722 0.733333
306 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
307 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
308 TUR 0.416667 0.842105
309 BTU 0.416667 0.842105
310 GLA MAN ABE 0.414286 0.916667
311 NAG NDG BMA 0.413333 0.634615
312 NAG NAG BMA 0.413333 0.634615
313 AHR AHR AHR 0.410714 0.857143
314 FUB AHR AHR 0.410714 0.857143
315 GLF B8D 0.409836 0.775
316 VAM 0.409836 0.868421
317 ACI G6D GLC ACI G6D BGC 0.409639 0.75
318 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.75
319 AC1 GLC AC1 BGC 0.409639 0.75
320 DAF GLC DAF GLC GLC 0.409639 0.75
321 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.75
322 ACI GLD GLC ACI G6D BGC 0.409639 0.75
323 MAN MMA MAN 0.409091 0.942857
324 AHR AHR 0.407407 0.857143
325 FUB AHR 0.407407 0.857143
326 NAG BMA MAN MAN MAN MAN 0.407407 0.733333
327 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.680851
328 4U0 0.406593 0.66
329 GLA MAN RAM ABE 0.405063 0.891892
330 BGC BGC SSG PIH 0.405063 0.767442
331 M1P 0.403846 0.697674
332 GL1 0.403846 0.697674
333 XGP 0.403846 0.697674
334 G1P 0.403846 0.697674
335 MAN IFM 0.403226 0.761905
336 GLC IFM 0.403226 0.761905
337 XZZ BGC BGC 0.402439 0.702128
338 ACG 0.402299 0.695652
339 FUC GAL 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WV6; Ligand: GAL BGC; Similar sites found: 161
This union binding pocket(no: 1) in the query (biounit: 3wv6.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.001349 0.42054 None
2 4QRH 0O2 0.008301 0.41928 None
3 2BOS GLA GAL 0.001298 0.41035 None
4 1Y7P RIP 0.001209 0.40564 None
5 3II1 BGC 0.008928 0.40677 1.35135
6 2XXP DSL 0.00269 0.49668 1.68919
7 4D1J DGJ 0.001132 0.45114 1.68919
8 3ACL 3F1 0.007292 0.41798 1.68919
9 4H6Q TFB 0.03176 0.40355 1.68919
10 5IXG OTP 0.0004984 0.50771 1.77515
11 5IXH OTP 0.01385 0.42576 1.86335
12 5MJA 7O3 0.03084 0.40839 2.02703
13 3FW4 CAQ 0.003006 0.42693 2.24719
14 5J75 6GQ 0.005629 0.40512 2.27273
15 3H22 B53 0.03979 0.41382 2.3569
16 4OPC PGT 0.008711 0.47799 2.36486
17 4OPC FDA 0.01477 0.44909 2.36486
18 1Q79 3AT 0.006647 0.41566 2.36486
19 4ZLU ADP 0.03781 0.41527 2.36486
20 4ZLU 4PW 0.03781 0.41527 2.36486
21 4CQE CQE 0.02003 0.40404 2.51799
22 2CM4 RCL 0.01145 0.41075 2.66667
23 1R5L VIV 0.00643 0.42367 2.67176
24 2JEQ GAL BGC BGC BGC XYS BGC XYS 0.0006161 0.50044 2.7027
25 4IGH 1EA 0.00337 0.48225 2.7027
26 4IGH FMN 0.00337 0.48225 2.7027
27 4IGH ORO 0.00337 0.48225 2.7027
28 3ZMR GLO BGC BGC XYS BGC XYS XYS 0.002497 0.4532 2.7027
29 5IH9 6BF 0.01001 0.43233 2.7027
30 1OBD ATP 0.005157 0.43059 2.7027
31 2PUL ACP 0.04047 0.41855 2.7027
32 5GXU FAD 0.0352 0.41837 2.7027
33 5KF6 TFB 0.02572 0.40893 2.7027
34 5KF6 FAD 0.02572 0.40893 2.7027
35 3N0Y APC 0.0001027 0.53286 2.7933
36 5GM9 CBK 0.01573 0.41507 2.8169
37 1ZNY GDP 0.008737 0.40371 2.89855
38 5N87 N66 0.003036 0.46952 3.04054
39 4ORM ORO 0.03177 0.40965 3.04054
40 4ORM 2V6 0.03177 0.40965 3.04054
41 4ORM FMN 0.03177 0.40965 3.04054
42 5W10 CMP 0.002561 0.45411 3.07692
43 5VC5 96M 0.003615 0.43697 3.11419
44 3E85 BSU 0.006987 0.42986 3.16456
45 3OJI PYV 0.002397 0.43816 3.1746
46 3PNA CMP 0.005426 0.42679 3.24675
47 2E0P CTT 0.01856 0.40908 3.37838
48 4LOO SB4 0.01387 0.40845 3.37838
49 2IRY DGT 0.01239 0.40509 3.37838
50 3QXQ CE5 0.00758 0.40164 3.37838
51 4DE9 VTP 0.0006367 0.4816 3.4965
52 5HCF BGC 0.0009688 0.42483 3.69004
53 2A1L PCW 0.001924 0.47261 3.7037
54 4YZC STU 0.001296 0.47234 3.71622
55 2ZYI STE 0.00338 0.4396 3.71622
56 3U6W KIV 0.003924 0.40901 3.71622
57 4P25 FUC GAL NAG FUC 0.009188 0.40329 3.71622
58 2YNE YNE 0.02393 0.40273 3.71622
59 2YNE NHW 0.02393 0.40273 3.71622
60 2QZ3 XYP XYP XYP 0.00109 0.45358 3.78378
61 3UN3 G16 0.0003964 0.48953 4.05405
62 1NYW DAU 0.003933 0.41555 4.06091
63 4TWL ASC 0.002836 0.431 4.06504
64 4ZU5 THM 0.002368 0.45027 4.16667
65 5DQ8 FLF 0.008603 0.4273 4.16667
66 5EPQ OLA 0.0003746 0.47733 4.26829
67 2Z77 HE7 0.01636 0.41538 4.31655
68 2AMV BIN 0.0137 0.44856 4.39189
69 5W0N UPU 0.004783 0.42424 4.39189
70 5HES 032 0.01142 0.42372 4.39189
71 3V4S ADP 0.02973 0.41568 4.39189
72 4NMC 2OP 0.0373 0.40769 4.39189
73 4NMC FAD 0.0386 0.40769 4.39189
74 2FCU AKG 0.01118 0.40026 4.39189
75 5JSP DQY 0.0003601 0.4645 4.47761
76 5KJZ PCG 0.005097 0.43783 4.66667
77 4ZSI 4R1 0.0007232 0.48028 4.67836
78 4ZSI GLP 0.004143 0.44315 4.67836
79 1KGI T4A 0.002043 0.45415 4.72441
80 1GQG DCD 0.002304 0.43758 4.72973
81 5X8G S0N 0.0384 0.40833 4.74227
82 2I74 MAN MAN MAN MAN 0.0003302 0.47738 4.7619
83 3AJH BL3 0.003902 0.42609 4.83871
84 4J6W CTP 0.004865 0.42774 4.87805
85 1I7E IBS 0.01006 0.40316 4.90566
86 3Q8G PEE 0.006195 0.43233 5.06757
87 3ENG CBI 0.005504 0.4165 5.16432
88 5FQK 6NT 0.001027 0.40194 5.20446
89 4WN5 MVC 0.00187 0.45622 5.21739
90 5BV6 35G 0.01618 0.41092 5.26316
91 5KEW 6SB 0.0006651 0.40836 5.31915
92 2Z6D FMN 0.01347 0.41763 5.38462
93 1UMZ BGC BGC XYS BGC XYS GAL 0.00005168 0.53955 5.39568
94 5FXD H7Y 0.0002917 0.50947 5.40541
95 1M15 ARG 0.006485 0.44895 5.40541
96 1M15 ADP 0.006485 0.44895 5.40541
97 1E6E FAD 0.03802 0.41779 5.46875
98 5FU3 BGC BGC BGC 0.0006315 0.40898 5.66038
99 1MJJ HAL 0.01353 0.40305 5.72687
100 3QRC SCR 0.000002826 0.52612 5.73248
101 5VNF VAL THR SER VAL VAL 0.002669 0.42406 5.73248
102 3IX8 TX3 0.002056 0.43778 5.78035
103 5BU3 4W9 0.01091 0.40438 5.97826
104 2BWA GLC BGC 0.0006363 0.46705 6.1674
105 3W8X FTK 0.0008869 0.46125 6.41892
106 3W8X FAD 0.00452 0.46057 6.41892
107 1U0A BGC BGC BGC BGC 0.00007752 0.49012 6.54206
108 1TIW FAD 0.02393 0.42001 6.75676
109 1TIW TFB 0.02393 0.42001 6.75676
110 2GJ5 VD3 0.001418 0.47886 6.79012
111 2XMY CDK 0.006141 0.46174 7.09459
112 3MTX PGT 0.002904 0.44308 7.28477
113 1ODM ASV 0.0001297 0.54947 7.43243
114 2YG2 S1P 0.003251 0.42921 7.55814
115 2YG2 FLC 0.003921 0.42921 7.55814
116 4H2W AMP 0.001205 0.46849 7.76699
117 4H2W 5GP 0.001448 0.46534 7.76699
118 1YKD CMP 0.003594 0.42636 7.77027
119 1MEX RAC 0.008444 0.40821 7.98122
120 2AGC DAO 0.001421 0.43997 8.02469
121 5ENQ 5QE 0.003733 0.45608 8.10811
122 3EEB IHP 0.006551 0.417 8.13397
123 5W2I ADP 0.03705 0.40585 8.17121
124 5W2I I3P 0.03705 0.40585 8.17121
125 1ZB6 GST 0.0001691 0.52212 8.44595
126 1ZB6 DIN 0.0001588 0.52212 8.44595
127 3CMJ SRT 0.0071 0.40268 8.44595
128 4Q0L V14 0.001306 0.48519 8.74525
129 3E8T UQ8 0.005326 0.45764 9.09091
130 5DXI TRE 0.003818 0.43498 9.45946
131 1I82 BGC BGC 0.0001671 0.48455 9.52381
132 5C1P ADP 0.01125 0.42061 9.7973
133 5FBN 5WF 0.03432 0.40072 9.9631
134 4R38 RBF 0.007134 0.42335 10
135 4N1T 2GD 0.005574 0.46251 10.0629
136 3G08 FEE 0.005821 0.47456 10.101
137 3SCM LGN 0.01782 0.43338 10.101
138 4KYS VIB 0.001026 0.4415 10.473
139 5H2D ERG 0.004627 0.43527 10.473
140 3F7Z 34O 0.03309 0.40504 10.473
141 4EMV 0R9 0.01167 0.42658 10.6195
142 5ML3 DL3 0.003664 0.44681 10.7383
143 4BVM PLM 0.01538 0.40829 11.2782
144 4BVM VCA 0.01636 0.40829 11.2782
145 5NCF 8T5 0.002958 0.42564 12.3894
146 5H9Y BGC BGC BGC BGC 0.006391 0.40112 12.5
147 5JR6 01B PRO PRO ALA NH2 0.02145 0.40326 13.1757
148 4H6B 10X 0.006279 0.40353 13.3333
149 4H6B 10Y 0.005706 0.40351 13.3333
150 5A65 TPP 0.0001216 0.50432 13.3641
151 4M1U A2G MBG 0.002233 0.42127 14.2857
152 1C4Q GLA GAL BGC 0.03681 0.4171 14.4928
153 1KQW RTL 0.001937 0.45805 16.4179
154 4MNS 2AX 0.005464 0.45111 16.9811
155 4RFR RHN 0.003693 0.43557 17.734
156 4K3H 1OM 0.006968 0.4135 19.4915
157 2P7Q GG6 0.007677 0.41651 24.0602
158 3M3E GAL A2G NPO 0.000000003384 0.74164 25.4658
159 5LJB RTL 0.009843 0.41584 31.8519
160 3VV1 GAL FUC 0.000000000001532 0.86192 43.75
161 1QKQ MAN 0.00000001144 0.71693 44.3662
Pocket No.: 2; Query (leader) PDB : 3WV6; Ligand: GAL GLC; Similar sites found: 109
This union binding pocket(no: 2) in the query (biounit: 3wv6.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QRH 0O2 0.002383 0.43898 None
2 5C8W PCG 0.006154 0.41585 None
3 5J8O 6GZ 0.0109 0.41385 None
4 4D1J DGJ 0.0004346 0.46399 1.68919
5 2XXP DSL 0.007771 0.45223 1.68919
6 5IXG OTP 0.01785 0.41394 1.77515
7 5IXH OTP 0.008927 0.41476 1.86335
8 5W4W 9WG 0.0111 0.40637 2.02703
9 3H22 B53 0.01324 0.42749 2.3569
10 1Q79 3AT 0.002349 0.42924 2.36486
11 1KOR ARG 0.04201 0.41448 2.36486
12 1KOR SIN 0.04201 0.41448 2.36486
13 4OPC PGT 0.01757 0.41163 2.36486
14 3F5K CE5 0.0152 0.40842 2.36486
15 4ZLU 4PW 0.03361 0.40669 2.36486
16 4ZLU ADP 0.03361 0.40669 2.36486
17 4CQE CQE 0.006557 0.42691 2.51799
18 2CM4 RCL 0.007204 0.42252 2.66667
19 3ZMR GLO BGC BGC XYS BGC XYS XYS 0.0008274 0.47112 2.7027
20 4IGH FMN 0.001761 0.46352 2.7027
21 4IGH 1EA 0.001761 0.46352 2.7027
22 4IGH ORO 0.001761 0.46352 2.7027
23 2JEQ GAL BGC BGC BGC XYS BGC XYS 0.005502 0.45175 2.7027
24 5IH9 6BF 0.005324 0.43592 2.7027
25 5GXU FAD 0.03525 0.41096 2.7027
26 3N0Y APC 0.003251 0.40556 2.7933
27 1ZNY GDP 0.00289 0.40815 2.89855
28 5N87 N66 0.002119 0.47673 3.04054
29 4HWT 1B2 0.005968 0.42506 3.04054
30 3X0Y FMN 0.0113 0.40594 3.04054
31 5VC5 96M 0.0007922 0.47813 3.11419
32 4L4J NAG NAG BMA MAN NAG 0.003048 0.42339 3.16742
33 3OJI PYV 0.00257 0.4275 3.1746
34 4K55 H6P 0.001189 0.41089 3.22581
35 2IRY DGT 0.005017 0.4119 3.37838
36 4LX0 BEF GDP 0.01923 0.40858 3.38983
37 4DE9 VTP 0.005616 0.43584 3.4965
38 2A1L PCW 0.004057 0.44936 3.7037
39 4P25 FUC GAL NAG FUC 0.002487 0.43174 3.71622
40 4YZC STU 0.006167 0.40914 3.71622
41 3UN3 G16 0.003473 0.43387 4.05405
42 5DQ8 FLF 0.01384 0.41192 4.16667
43 4ZU5 THM 0.01772 0.40317 4.16667
44 2ZMF CMP 0.0009044 0.44783 4.2328
45 5EPQ OLA 0.0002526 0.45508 4.26829
46 2Z77 HE7 0.0008958 0.44865 4.31655
47 3SLS 77D 0.005957 0.41903 4.39189
48 5W0N 2KH 0.01279 0.40125 4.39189
49 2V58 LZJ 0.01204 0.40964 4.45434
50 5JSP DQY 0.0007196 0.45288 4.47761
51 4ZSI GLP 0.003067 0.43216 4.67836
52 4ZSI 4R1 0.01444 0.41285 4.67836
53 1KGI T4A 0.003499 0.40926 4.72441
54 1GQG DCD 0.005463 0.40553 4.72973
55 2I74 MAN MAN MAN MAN 0.0001328 0.49922 4.7619
56 5JKG 6LF 0.0121 0.4224 5.06757
57 5VGS 9A7 0.003082 0.41454 5.09554
58 5VGS 9A4 0.002698 0.41454 5.09554
59 2Z6D FMN 0.00858 0.42266 5.38462
60 1UMZ BGC BGC XYS BGC XYS GAL 0.00002373 0.54221 5.39568
61 5FXD H7Y 0.0003556 0.49963 5.40541
62 1M15 ADP 0.004079 0.43564 5.40541
63 1M15 ARG 0.004079 0.43564 5.40541
64 5BVE 4VG 0.02848 0.41444 5.40541
65 3KDJ A8S 0.001569 0.4497 5.44554
66 1E6E FAD 0.04047 0.40264 5.46875
67 5VNF VAL THR SER VAL VAL 0.0006738 0.43751 5.73248
68 5HV0 AKG 0.00334 0.41542 5.99078
69 1U0A BGC BGC BGC BGC 0.0002992 0.45562 6.54206
70 2GJ5 VD3 0.006998 0.41511 6.79012
71 2XMY CDK 0.004573 0.4147 7.09459
72 3MTX PGT 0.001638 0.44821 7.28477
73 1ODM ASV 0.0003397 0.51497 7.43243
74 2YG2 FLC 0.0005154 0.46507 7.55814
75 2YG2 S1P 0.001258 0.44125 7.55814
76 4H2W AMP 0.01739 0.40188 7.76699
77 1YKD CMP 0.001357 0.42022 7.77027
78 1U6R ADP 0.005623 0.41061 7.77027
79 3BXO UPP 0.01747 0.40519 7.94979
80 1ZD9 GDP 0.01742 0.40503 7.97872
81 5AMV ADA ADA ADA 0.006855 0.44989 8.10811
82 3L9R L9R 0.02297 0.40657 8.16327
83 1YVD GNP 0.01549 0.42101 8.28402
84 1ZB6 DIN 0.00239 0.43348 8.44595
85 1ZB6 GST 0.002518 0.43348 8.44595
86 4Q0L V14 0.008906 0.41933 8.74525
87 3E8T UQ8 0.003142 0.44642 9.09091
88 5FBN 5WF 0.01335 0.4148 9.9631
89 4NPL AKG 0.0004083 0.45808 10
90 3G08 FEE 0.003361 0.47342 10.101
91 1Z0J GTP 0.02191 0.4104 10.1695
92 4KYS VIB 0.002347 0.42185 10.473
93 5H2D ERG 0.01508 0.41931 10.473
94 3TTZ 07N 0.01764 0.40105 10.6061
95 4EMV 0R9 0.01304 0.41135 10.6195
96 4HIA FMN 0.002794 0.43291 10.7955
97 5NCF 8T5 0.002673 0.40118 12.3894
98 4M1U A2G MBG 0.001404 0.41172 14.2857
99 4B1M FRU FRU 0.01287 0.41714 14.5946
100 5UFQ GNP 0.0173 0.42261 16.3934
101 4MNS 2AX 0.000874 0.4682 16.9811
102 4RFR RHN 0.0009894 0.45848 17.734
103 4HDQ GNP 0.0201 0.40687 17.9641
104 5U98 1KX 0.008107 0.41733 18.1818
105 4K3H 1OM 0.006444 0.40325 19.4915
106 3M3E GAL A2G NPO 0.0000000002141 0.80777 25.4658
107 5LJB RTL 0.006478 0.42197 31.8519
108 3VV1 GAL FUC 0.00000000001923 0.74452 43.75
109 1QKQ MAN 0.00000001077 0.70401 44.3662
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