Receptor
PDB id Resolution Class Description Source Keywords
3I8T 2.1 Å NON-ENZYME: BINDING N-TERMINAL CRD1 DOMAIN OF MOUSE GALECTIN-4 IN COMPLEX WITH L MUS MUSCULUS S-TYPE LECTIN CARBOHYDRATE BINDING MOLECULAR RECOGNITION SUGAR BINDING PROTEIN
Ref.: STRUCTURE OF THE MOUSE GALECTIN-4 N-TERMINAL CARBOHYDRATE-RECOGNITION DOMAIN REVEALS THE MECHANI OLIGOSACCHARIDE RECOGNITION ACTA CRYSTALLOGR.,SECT.D V. 67 204 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:166;
A:167;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
LBT A:165;
Valid;
none;
Kd = 600 uM
342.296 C12 H22 O11 C([C@...
NA A:169;
Invalid;
none;
submit data
22.99 Na [Na+]
PEG A:168;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3I8T 2.1 Å NON-ENZYME: BINDING N-TERMINAL CRD1 DOMAIN OF MOUSE GALECTIN-4 IN COMPLEX WITH L MUS MUSCULUS S-TYPE LECTIN CARBOHYDRATE BINDING MOLECULAR RECOGNITION SUGAR BINDING PROTEIN
Ref.: STRUCTURE OF THE MOUSE GALECTIN-4 N-TERMINAL CARBOHYDRATE-RECOGNITION DOMAIN REVEALS THE MECHANI OLIGOSACCHARIDE RECOGNITION ACTA CRYSTALLOGR.,SECT.D V. 67 204 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3I8T Kd = 600 uM LBT C12 H22 O11 C([C@@H]1[....
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: LBT; 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 : 3I8T; Ligand: LBT; Similar sites found: 272
This union binding pocket(no: 1) in the query (biounit: 3i8t.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CO3 ATP 0.0009286 0.47682 None
2 2HMT NAI 0.001677 0.46943 None
3 4TMK T5A 0.00738 0.46863 None
4 4C25 13P 0.0005938 0.46848 None
5 2P4T NAP 0.0007814 0.46624 None
6 3TA2 AKG 0.001266 0.45421 None
7 3F81 STT 0.00138 0.44729 None
8 2A0W DIH 0.004161 0.43754 None
9 1QJC PNS 0.01523 0.42854 None
10 2I74 MAN MAN MAN MAN 0.00001377 0.42656 None
11 3TA2 ATP 0.01047 0.41976 None
12 3HQJ COA 0.005711 0.41129 None
13 1F7L COA 0.01928 0.40796 None
14 1VQ2 DDN 0.0001244 0.53272 1.21951
15 1XX4 BAM 0.00046 0.44094 1.21951
16 2BGM NAJ 0.0001048 0.53274 1.82927
17 2BGM MAX 0.00007172 0.50094 1.82927
18 4QN7 G39 0.0005198 0.47948 1.82927
19 3VKX T3 0.0003325 0.46568 1.82927
20 2HVW DCP 0.003794 0.41223 1.82927
21 5E65 5N6 GAL 0.007047 0.40453 1.82927
22 1BDB NAD 0.00008026 0.54815 2.43902
23 2P8B NSK 0.0001839 0.5478 2.43902
24 1Q3Q ANP 0.00007804 0.53877 2.43902
25 1RRC ADP 0.00003395 0.51049 2.43902
26 1Z34 2FD 0.0007488 0.48835 2.43902
27 1Y7P RIP 0.0003723 0.45582 2.43902
28 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.0143 0.42757 2.43902
29 1R6D NAD 0.02941 0.41542 2.43902
30 1SSQ CYS 0.02616 0.41301 2.43902
31 2TPL HPP 0.01443 0.40418 2.43902
32 3OZG SSI 0.008109 0.40099 2.43902
33 2D4N DUP 0.008815 0.41114 2.63158
34 2XBP ATP 0.003654 0.45249 2.65487
35 1NXJ TLA 0.000114 0.40605 2.73224
36 4IVG ANP 0.0002426 0.51013 3.04878
37 1O6B ADP 0.000206 0.50826 3.04878
38 2WIC GNP 0.0006532 0.4592 3.04878
39 3TYZ PAB 0.003535 0.45715 3.04878
40 1SBZ FMN 0.002089 0.44886 3.04878
41 1H2B NAJ 0.004421 0.43577 3.04878
42 1XE7 GUN 0.004505 0.4317 3.04878
43 3EJ0 11X 0.0009291 0.42881 3.04878
44 2IXB NAD 0.01305 0.41262 3.04878
45 3L6R MLI 0.006184 0.41076 3.04878
46 1GPJ CIT 0.004847 0.40897 3.04878
47 3S2Y FMN 0.008139 0.4049 3.04878
48 3FC2 IBI 0.01946 0.40377 3.04878
49 1A8S PPI 0.0009365 0.40355 3.04878
50 3B9Z CO2 0.001673 0.40108 3.04878
51 2IXB A2G 0.035 0.40077 3.04878
52 1QCA FUA 0.002751 0.47105 3.28639
53 4LTN NAI 0.00001701 0.56136 3.65854
54 4LTN FMN 0.00001335 0.56136 3.65854
55 3O03 GCO 0.000001831 0.54642 3.65854
56 4B7J G39 0.00002134 0.53799 3.65854
57 4HZX G39 0.00003619 0.53653 3.65854
58 1V5F TPP 0.0006914 0.53073 3.65854
59 1V5F FAD 0.0006914 0.53073 3.65854
60 1I9G SAM 0.0001613 0.51421 3.65854
61 1SAZ ACP 0.0005702 0.50984 3.65854
62 1JQ5 NAD 0.003529 0.48994 3.65854
63 4OE4 NAD 0.0003574 0.48037 3.65854
64 3O03 NAP 0.001485 0.47865 3.65854
65 4HGP KDO 0.0006624 0.4748 3.65854
66 1FS5 TLA 0.0008568 0.45924 3.65854
67 3IU9 T07 0.005729 0.45177 3.65854
68 1QY1 PRZ 0.001138 0.44435 3.65854
69 3FS8 ACO 0.01384 0.44262 3.65854
70 1PKK DCP 0.003013 0.42843 3.65854
71 4HZD COA 0.008142 0.4263 3.65854
72 1HDR NAD 0.01616 0.42471 3.65854
73 2PAR TMP 0.01649 0.41978 3.65854
74 3N5O GSH 0.007307 0.40685 3.65854
75 4WBD ADP 0.008412 0.4049 3.65854
76 2VBQ BSJ 0.02352 0.40463 3.65854
77 1VJO PLP 0.008403 0.40036 3.65854
78 2ZI8 SDT 0.000146 0.49491 4
79 3CXO 1N5 0.0000003743 0.61153 4.26829
80 3M0J OAF 0.000003991 0.56655 4.26829
81 2H6B 3C4 0.0001141 0.52919 4.26829
82 2FWP CIT 0.00003641 0.52453 4.26829
83 3K9W 4PS 0.000813 0.51098 4.26829
84 3K9W ADE 0.000813 0.51098 4.26829
85 1OMZ UD2 0.0002884 0.5005 4.26829
86 3CXO 3LR 0.0001515 0.49423 4.26829
87 1OFH ADP 0.001079 0.48595 4.26829
88 2FWP ICR 0.0008086 0.47095 4.26829
89 4G1V FAD 0.005464 0.46995 4.26829
90 2QIA U20 0.002084 0.46894 4.26829
91 2TOH HBI 0.0005882 0.46203 4.26829
92 2Q1A 2KT 0.0000001064 0.45526 4.26829
93 4M6T SAM 0.004084 0.44298 4.26829
94 2BNF UTP 0.007216 0.43184 4.26829
95 3WBF API 0.008022 0.42432 4.26829
96 1DXY COI 0.006456 0.42426 4.26829
97 1MDZ PLP 0.008843 0.42126 4.26829
98 3WBF NAP 0.00748 0.42067 4.26829
99 1E2S CSN 0.00317 0.41539 4.26829
100 2BZ1 TAU 0.02473 0.4114 4.26829
101 2FGQ MLT 0.000724 0.4108 4.26829
102 1UXG NAD 0.02242 0.40959 4.26829
103 1UXG FUM 0.02242 0.40959 4.26829
104 4C0X FMN 0.01184 0.40929 4.26829
105 4C0X AQN 0.01552 0.40929 4.26829
106 4RJK PYR 0.03142 0.40587 4.26829
107 2AMV BIN 0.04668 0.40381 4.26829
108 5FIT AP2 0.006448 0.40058 4.26829
109 3Q3C NAD 0.004764 0.45178 4.34783
110 4DN8 BMA 0.0001056 0.47879 4.48718
111 1SS4 GSH 0.02433 0.41134 4.57516
112 4F8L GAL 0.02085 0.41533 4.82759
113 3FPZ AHZ 0.0004555 0.51585 4.87805
114 1RM4 NDP 0.0002654 0.51549 4.87805
115 2NLI LAC 0.0002716 0.50785 4.87805
116 2NLI FMN 0.0002716 0.50785 4.87805
117 3OIG NAD 0.0005818 0.4994 4.87805
118 2ZWS PLM 0.0007829 0.49027 4.87805
119 3OIG IMJ 0.0003752 0.48307 4.87805
120 1FA2 DOM 0.0005262 0.47075 4.87805
121 1VPO TES 0.0008237 0.4558 4.87805
122 2ZO9 MLI 0.00004611 0.44712 4.87805
123 4KCF FMN 0.003874 0.44293 4.87805
124 3JU6 ANP 0.0002136 0.4305 4.87805
125 3VHZ L2P GLC MAN SGA 0.03292 0.4202 4.87805
126 3VHZ SOG 0.03427 0.41675 4.87805
127 1RY2 AMP 0.007499 0.41641 4.87805
128 2HV8 GTP 0.01318 0.41162 4.87805
129 2GJ3 FAD 0.004467 0.43242 5
130 4A3R CIT 0.000002899 0.57964 5.4878
131 3CL7 HYN 0.000001891 0.56815 5.4878
132 1R0X ATP 0.00002664 0.53374 5.4878
133 3A8U PLP 0.00005505 0.50583 5.4878
134 2BLE 5GP 0.0007849 0.49326 5.4878
135 1F8F NAD 0.0006716 0.49317 5.4878
136 4M7F BM3 0.00003194 0.48272 5.4878
137 3GD8 BOG 0.000001771 0.47233 5.4878
138 1MVN FMN 0.001505 0.46247 5.4878
139 3GD8 GOL 0.0006387 0.46051 5.4878
140 1MVN PCO 0.01134 0.4367 5.4878
141 1R37 NAD 0.005479 0.43283 5.4878
142 3MAG 3MA 0.006653 0.432 5.4878
143 3UH0 TSB 0.004523 0.42267 5.4878
144 3IB9 BTN 0.0001879 0.41193 5.4878
145 2I4O ATP 0.005264 0.40166 5.4878
146 4G10 GSH 0.007986 0.40127 5.4878
147 2XCG XCG 0.0226 0.4009 5.4878
148 2PMP C5P 0.002874 0.41712 5.625
149 1YOE RIB 0.000005025 0.55841 6.09756
150 3K37 BCZ 0.0000624 0.55638 6.09756
151 2IMP NAI 0.00008726 0.55072 6.09756
152 2QS8 MET 0.000009645 0.54613 6.09756
153 1G7V PAI 0.00009233 0.51821 6.09756
154 4N02 FNR 0.000293 0.50822 6.09756
155 2IMP LAC 0.0001542 0.4785 6.09756
156 4CMF PXG 0.002007 0.46759 6.09756
157 1G6O ADP 0.005449 0.45059 6.09756
158 2WR8 SAH 0.004383 0.43829 6.09756
159 4HA6 FAD 0.009604 0.43099 6.09756
160 4WNB 4BN 0.003894 0.41615 6.09756
161 1KOL NAD 0.01543 0.41494 6.09756
162 1J2Z SOG 0.0001093 0.40922 6.09756
163 3OND ADN 0.03676 0.40726 6.09756
164 3OND NAD 0.03676 0.40726 6.09756
165 2DUA OXL 0.000004689 0.54161 6.2069
166 3R51 MMA 0.009999 0.41518 6.25
167 2JBZ COA 0.02665 0.41264 6.29371
168 1BTN I3P 0.006939 0.44814 6.60377
169 3FSY SCA 0.0003752 0.48771 6.70732
170 2W8Q SIN 0.0007311 0.45037 6.70732
171 1DKU AP2 0.001995 0.4434 6.70732
172 1DUC DUD 0.003891 0.42106 6.71642
173 2HVK TBA 0.0006038 0.447 6.84932
174 2X61 CH 0.00001279 0.55688 7.31707
175 4MWV BCZ 0.00004456 0.52976 7.31707
176 3FSJ D7K 0.00123 0.48979 7.31707
177 2X61 NGA GAL SIA 0.004265 0.45709 7.31707
178 1D09 PAL 0.03252 0.43486 7.31707
179 3SQG COM 0.008293 0.42722 7.31707
180 1C4U IH1 0.003408 0.42156 7.31707
181 1Z6K OAA 0.00279 0.41395 7.31707
182 3PAK MAN 0.001566 0.4313 7.43243
183 1GSA GSH 0.00001886 0.55196 7.59494
184 1GSA ADP 0.00004864 0.54032 7.59494
185 1T26 GBD 0.00002636 0.58411 7.92683
186 1T26 NAI 0.00002636 0.58411 7.92683
187 4AP9 1PS 0.0002724 0.46821 7.92683
188 1EDO NAP 0.003659 0.46707 7.92683
189 1OWB NAD 0.003206 0.43872 7.92683
190 3HU3 AGS 0.01297 0.43695 7.92683
191 1A5Z OXM 0.00299 0.43199 7.92683
192 3TO7 COA 0.008796 0.42797 7.92683
193 1IM8 SAI 0.004793 0.41817 7.92683
194 2BNE U5P 0.01215 0.41689 7.92683
195 9LDB NAD 0.01085 0.41614 7.92683
196 4B9E FAH 0.006109 0.41099 7.92683
197 3ZRR PXG 0.006613 0.41052 7.92683
198 3VOZ 04A 0.00009684 0.40882 7.92683
199 1ZGA SAH 0.007093 0.40121 7.92683
200 1NU4 MLA 0.03063 0.40646 8.24742
201 1NME 159 0.0002965 0.45704 8.53659
202 4GLJ RHB 0.002631 0.44446 8.53659
203 43CA NPO 0.007589 0.4433 8.53659
204 1V7R CIT 0.01409 0.41568 8.53659
205 2PNZ UDP 0.01613 0.40209 8.53659
206 4Q3F TLA 0.001588 0.41204 8.54701
207 3EM1 TYD 0.001471 0.44422 8.90411
208 4GQB 0XU 0.0003766 0.50314 9.14634
209 1D3V ABH 0.003854 0.42882 9.14634
210 2PJL 047 0.01131 0.41828 9.14634
211 3IOI 1GW 0.01435 0.41198 9.14634
212 4TSK NDP 0.000103 0.53311 9.7561
213 2YYJ FAD 0.0005566 0.51286 9.7561
214 2YYJ 4HP 0.0005566 0.51286 9.7561
215 3SUC ATP 0.0002394 0.49833 9.7561
216 4TSK TLA 0.0004376 0.45964 9.7561
217 2AEB ABH 0.003495 0.44089 9.7561
218 2NT8 ATP 0.004918 0.42859 9.7561
219 3H86 AP5 0.001537 0.46977 9.89583
220 1X1T NAD 0.00003221 0.56723 10.3659
221 1LTH FBP 0.000001218 0.51146 10.3659
222 1WVC CTP 0.0007705 0.50716 10.3659
223 1LTH NAD 0.0005704 0.49474 10.3659
224 1LCP PLU 0.001813 0.44285 10.3659
225 1LTH OXM 0.002093 0.41761 10.3659
226 1B66 BIO 0.0009204 0.45013 10.7143
227 1EXB NDP 0.002458 0.47664 10.9756
228 1ZFJ IMP 0.01357 0.45075 10.9756
229 2NZ2 ASP 0.0002903 0.44534 10.9756
230 4I9A NCN 0.002096 0.44469 10.9756
231 4K55 H6P 0.0003779 0.41325 10.9756
232 2V5K OXM 0.003672 0.40917 10.9756
233 1JA9 NDP 0.0001874 0.52897 11.3139
234 1JA9 PYQ 0.0007584 0.46386 11.3139
235 1FWE HAE 0.0002741 0.44963 11.3208
236 4OYA 1VE 0.01249 0.4534 11.5854
237 4LO6 SIA GAL 0.002548 0.43129 11.5854
238 4LBP 1WG 0.0003386 0.47906 12
239 4IAE 1DX 0.005165 0.44813 12.1693
240 3MB5 SAM 0.00002351 0.5571 12.1951
241 4N7C AEF 0.008026 0.4058 12.1951
242 1YBH FAD 0.0002043 0.53658 12.8049
243 1CR1 TTP 0.0001993 0.52769 12.8049
244 2XD9 XD9 0.000836 0.52422 12.8049
245 1YBH P22 0.00003823 0.5236 12.8049
246 1YBH CIE 0.000117 0.51358 12.8049
247 1QW9 KHP 0.005941 0.42075 12.8049
248 1NZY BCA 0.007772 0.41859 12.8049
249 3TCT 3MI 0.04116 0.4078 13.3858
250 1LDM NAD 0.0001926 0.52533 13.4146
251 1WL4 COA 0.0004548 0.49148 13.4146
252 1LDM OXM 0.001014 0.43015 13.4146
253 3PVT 3HC 0.01246 0.42015 13.4146
254 1H8G CHT 0.008143 0.43688 13.6842
255 1I2B USQ 0.0007519 0.52254 14.0244
256 1I2B UPG 0.0007519 0.52254 14.0244
257 1I2B NAD 0.0007519 0.52254 14.0244
258 2V9M CIT 0.00001709 0.50068 14.0244
259 3NOJ PYR 0.0000478 0.47999 14.0244
260 3CKZ ZMR 0.000008553 0.56753 14.6341
261 3F3E LEU 0.007928 0.42897 14.6341
262 1W55 C 0.002125 0.46468 15.8537
263 1V1A ADP 0.001812 0.44744 15.8537
264 1W55 GPP 0.0005398 0.44651 15.8537
265 1V1A KDG 0.006855 0.41077 15.8537
266 4Q3R XA2 0.000606 0.46322 17.6829
267 2YC5 6BC 0.0193 0.40954 19.5122
268 4AAW R84 0.01333 0.42781 21.3415
269 3K3G MMU 0.001307 0.42292 23.1707
270 2EFJ SAH 0.004668 0.41291 25.6098
271 2IZ1 ATR 0.006892 0.40254 28.6585
272 3VV1 GAL FUC 0.00000000004049 0.67249 38.75
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