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Receptor
PDB id Resolution Class Description Source Keywords
4BME 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE N TERMINAL DOMAIN OF HUMAN GALECTIN 8, F19Y MUTANT HOMO SAPIENS SUGAR BINDING PROTEIN CARBOHYDRATE RECOGNITION
Ref.: NATURAL SINGLE AMINO ACID POLYMORPHISM (F19Y) IN HU GALECTIN-8: DETECTION OF STRUCTURAL ALTERATIONS AND INCREASED GROWTH-REGULATORY ACTIVITY ON TUMOR CELLS FEBS J. V. 281 1446 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LBT B:1154;
A:1156;
Valid;
Valid;
none;
none;
Ka = 13000 M^-1
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T7I 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF GALECTIN-8N IN COMPLEX WITH LNNT HOMO SAPIENS CARBOHYDRATE-BINDING PROTEIN GALECTIN-8 LECTIN SUGAR BINDIPROTEIN
Ref.: STRUCTURE-BASED RATIONALE FOR DIFFERENTIAL RECOGNIT LACTO- AND NEOLACTO- SERIES GLYCOSPHINGOLIPIDS BY T N-TERMINAL DOMAIN OF HUMAN GALECTIN-8. SCI REP V. 6 39556 2016
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5T7S Kd = 3.1 uM LBT C12 H22 O11 C([C@@H]1[....
2 4BMB Ka = 13000 M^-1 LAT C12 H22 O11 C([C@@H]1[....
3 5T7I Kd = 0.33 uM LAT NAG GAL n/a n/a
4 3VKO - SIA GAL NAG n/a n/a
5 4BME Ka = 13000 M^-1 LBT C12 H22 O11 C([C@@H]1[....
6 5T7T Kd = 2.1 uM GAL NAG n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5T7S Kd = 3.1 uM LBT C12 H22 O11 C([C@@H]1[....
2 4BMB Ka = 13000 M^-1 LAT C12 H22 O11 C([C@@H]1[....
3 5T7I Kd = 0.33 uM LAT NAG GAL n/a n/a
4 3VKO - SIA GAL NAG n/a n/a
5 4BME Ka = 13000 M^-1 LBT C12 H22 O11 C([C@@H]1[....
6 5T7T Kd = 2.1 uM GAL NAG n/a n/a
7 4WVV - LBT C12 H22 O11 C([C@@H]1[....
8 4WVW - SLT C23 H39 N O19 CC(=O)N[C@....
50% Homology Family (109)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 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 5ODY Kd = 7.5 nM 9SK C30 H28 F5 N3 O11 S c1cc(c(c2c....
13 5E88 Kd = 0.065 uM 5KT C24 H28 N6 O8 S3 c1cscc1c2c....
14 4R9D - LAT C12 H22 O11 C([C@@H]1[....
15 1KJL Kd = 67 uM GAL NAG n/a n/a
16 3T1L Kd = 0.55 mM MQT C17 H22 O8 Cc1ccc(cc1....
17 2XG3 Kd = 18.2 uM UNU GAL NAG n/a n/a
18 4LBJ Kd = 0.39 uM GAL NAG GAL BGC n/a n/a
19 4R9C - LAT C12 H22 O11 C([C@@H]1[....
20 3ZSJ Kd = 231 uM LAT C12 H22 O11 C([C@@H]1[....
21 4LBM Kd = 0.97 uM BGC GAL NAG GAL n/a n/a
22 1KJR Kd = 0.88 uM BEK GAL NAG n/a n/a
23 6EOL Kd = 0.037 uM BKH C20 H16 Cl2 F3 N3 O4 S c1cc(c(cc1....
24 6G0V Kd = 166 uM EGZ C18 H25 N O13 S C1[C@H](NC....
25 3AYE - LAT C12 H22 O11 C([C@@H]1[....
26 6EOG Kd = 1.6 uM BKK C20 H17 Cl F3 N3 O4 S c1cc(cc(c1....
27 5E89 Kd = 0.014 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
28 4LBO Kd = 1.7 uM BGC GAL SIA n/a n/a
29 2NMO Kd = 260 uM GAL BGC n/a n/a
30 3AYC Kd = 57 uM GAL NGA GAL BGC SIA n/a n/a
31 4JCK Kd = 4.3 mM 1LL C12 H22 O10 S C([C@@H]1[....
32 5NFA Kd = 5.6 uM 8VQ C24 H36 N2 O12 CC(=O)N[C@....
33 4LBK Kd = 0.32 uM GAL NAG GAL BGC n/a n/a
34 5OAX Kd = 12 nM 9Q5 C30 H30 F3 N3 O11 S c1cc(cc(c1....
35 4RL7 - LAT C12 H22 O11 C([C@@H]1[....
36 3AYD Kd = 65 uM NPO A2G GAL n/a n/a
37 4LBN Kd = 0.65 uM GLC GAL NAG GAL n/a n/a
38 1G86 - NEQ C6 H7 N O2 CCN1C(=O)C....
39 1QKQ - MAN C6 H12 O6 C([C@@H]1[....
40 1HDK - PMB C6 H5 Hg O3 S c1cc(ccc1S....
41 2D6N - GAL NAG n/a n/a
42 2D6M - LBT C12 H22 O11 C([C@@H]1[....
43 2D6O - NAG GAL GAL NAG n/a n/a
44 4XBN Kd = 93 uM GAL NAG n/a n/a
45 5H9R Kd = 0.84 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
46 5H9P Kd = 0.068 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
47 5DG2 - GAL GLC n/a n/a
48 5EWS - GAL BGC n/a n/a
49 5NM1 - LBT C12 H22 O11 C([C@@H]1[....
50 5NLD - LBT C12 H22 O11 C([C@@H]1[....
51 5NMJ - LBT C12 H22 O11 C([C@@H]1[....
52 5NLH - LBT C12 H22 O11 C([C@@H]1[....
53 5NLE - LBT C12 H22 O11 C([C@@H]1[....
54 4XBL Kd = 340 uM GAL NAG n/a n/a
55 4Y24 Kd = 0.22 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
56 3T2T - MQT C17 H22 O8 Cc1ccc(cc1....
57 3OY8 Kd = 220 uM GAL GCO n/a n/a
58 2EAL - GAL NGA A2G n/a n/a
59 2ZHL Kd = 3 uM NAG GAL GAL NAG n/a n/a
60 2ZHK Kd = 3 uM NAG GAL GAL NAG n/a n/a
61 2ZHN - NAG GAL NAG GAL GAL NAG n/a n/a
62 2ZHM - NAG GAL GAL NAG GAL n/a n/a
63 2EAK - LBT C12 H22 O11 C([C@@H]1[....
64 3WLU - LSE C18 H36 O10 Se Si C[Si](C)(C....
65 5H9S Kd = 87 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
66 5H9Q Kd = 38 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
67 4XBQ Kd = 270 uM GAL NAG n/a n/a
68 6A62 - LAT C12 H22 O11 C([C@@H]1[....
69 6A64 - LAT C12 H22 O11 C([C@@H]1[....
70 6A63 - LAT C12 H22 O11 C([C@@H]1[....
71 5T7S Kd = 3.1 uM LBT C12 H22 O11 C([C@@H]1[....
72 4BMB Ka = 13000 M^-1 LAT C12 H22 O11 C([C@@H]1[....
73 5T7I Kd = 0.33 uM LAT NAG GAL n/a n/a
74 3VKO - SIA GAL NAG n/a n/a
75 4BME Ka = 13000 M^-1 LBT C12 H22 O11 C([C@@H]1[....
76 5T7T Kd = 2.1 uM GAL NAG n/a n/a
77 3I8T Kd = 600 uM LBT C12 H22 O11 C([C@@H]1[....
78 3WV6 - GAL BGC n/a n/a
79 3NV2 - GAL NDG n/a n/a
80 3NV4 - SIA GAL BGC n/a n/a
81 3NV3 - GAL NAG MAN n/a n/a
82 3WUD Kd = 41 uM GLC GAL n/a n/a
83 3GAL - 1GN C6 H13 N O5 C([C@@H]1[....
84 4UW6 - VV7 C69 H73 N20 O39 [H]1c2c(cc....
85 2GAL - GAL C6 H12 O6 C([C@@H]1[....
86 4GAL - GAL BGC n/a n/a
87 4UW3 - 50G C31 H50 N10 O18 c1c(nnn1[C....
88 4UW4 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
89 3ZXE Kd = 450 uM PGZ C22 H28 N O8 P S Cc1ccc(cc1....
90 5GAL - NAG GAL n/a n/a
91 4UW5 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
92 1A78 - TDG C12 H22 O10 S C([C@@H]1[....
93 5DUW Kd = 510 uM 5GO C12 H22 O14 S C([C@@H]1[....
94 5DUV Kd = 1300 uM LAT C12 H22 O11 C([C@@H]1[....
95 5DUX Kd = 380 uM LAT FUC n/a n/a
96 4WVV - LBT C12 H22 O11 C([C@@H]1[....
97 4WVW - SLT C23 H39 N O19 CC(=O)N[C@....
98 4YLZ Kd = 270 uM LAT NAG GAL n/a n/a
99 5CBL - LAT C12 H22 O11 C([C@@H]1[....
100 4YM0 Kd = 510 uM LAT NAG GAL n/a n/a
101 4YM2 Kd = 1400 uM SGA BGC n/a n/a
102 4YM3 Kd = 1900 uM LAT C12 H22 O11 C([C@@H]1[....
103 4YM1 Kd = 580 uM LAT FUC n/a n/a
104 1IS4 - LAT C12 H22 O11 C([C@@H]1[....
105 1WLD - GAL BGC n/a n/a
106 6FOF - LAT C12 H22 O11 C([C@@H]1[....
107 5NFB Kd = 0.77 uM 8VT C30 H40 N2 O13 CC(=O)N[C@....
108 5NF7 Kd = 37.5 uM 8VZ C16 H28 N2 O11 CC(=O)N[C@....
109 1SLA - NAG MAN GAL BMA NAG MAN NAG GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LBT; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GLA 1 1
2 GAL BGC 1 1
3 GLC GAL 1 1
4 BMA GAL 1 1
5 LBT 1 1
6 BGC GAL 1 1
7 CBI 1 1
8 MAL 1 1
9 CBK 1 1
10 BGC BMA 1 1
11 N9S 1 1
12 MAB 1 1
13 LAT 1 1
14 GLA GAL 1 1
15 B2G 1 1
16 BMA BMA BMA 0.909091 1
17 GLA GAL GLC 0.909091 1
18 GLC BGC BGC 0.909091 1
19 GLC BGC BGC BGC 0.909091 1
20 GLC GLC GLC GLC GLC 0.909091 1
21 CT3 0.909091 1
22 BGC GLC GLC GLC 0.909091 1
23 BGC BGC BGC BGC 0.909091 1
24 CTT 0.909091 1
25 CTR 0.909091 1
26 GLC GAL GAL 0.909091 1
27 MAN BMA BMA BMA BMA BMA 0.909091 1
28 BGC BGC BGC GLC 0.909091 1
29 CEY 0.909091 1
30 B4G 0.909091 1
31 BGC BGC BGC 0.909091 1
32 GLC GLC BGC 0.909091 1
33 CE5 0.909091 1
34 BGC BGC BGC BGC BGC BGC 0.909091 1
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
36 BMA BMA BMA BMA BMA BMA 0.909091 1
37 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
38 GLA GAL BGC 0.909091 1
39 MLR 0.909091 1
40 MAN BMA BMA 0.909091 1
41 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
42 BMA BMA BMA BMA BMA 0.909091 1
43 BGC BGC GLC 0.909091 1
44 MAN MAN BMA BMA BMA BMA 0.909091 1
45 BGC GLC GLC 0.909091 1
46 BGC BGC BGC BGC BGC 0.909091 1
47 MT7 0.909091 1
48 GLC BGC BGC BGC BGC 0.909091 1
49 CE6 0.909091 1
50 MTT 0.909091 1
51 CE8 0.909091 1
52 MAN BMA BMA BMA BMA 0.909091 1
53 GLC BGC GLC 0.909091 1
54 DXI 0.909091 1
55 GLC BGC BGC BGC BGC BGC 0.909091 1
56 CEX 0.909091 1
57 GAL GAL GAL 0.909091 1
58 BMA MAN BMA 0.909091 1
59 BGC GLC GLC GLC GLC 0.909091 1
60 GLA GAL GAL 0.816327 1
61 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
62 BMA BMA GLA BMA BMA 0.689655 1
63 XYT 0.685185 0.767442
64 LAT GLA 0.680851 1
65 GLC GLC GLC BGC 0.672414 1
66 U63 0.647059 0.891892
67 MMA MAN 0.64 0.942857
68 DR5 0.64 0.942857
69 GLA EGA 0.634615 0.942857
70 GAL FUC 0.615385 0.941176
71 2M4 0.612245 1
72 BGC GAL FUC 0.610169 0.970588
73 FUC GAL GLC 0.610169 0.970588
74 8B7 0.610169 0.970588
75 GLC GAL FUC 0.610169 0.970588
76 LAT FUC 0.610169 0.970588
77 BGC GLA GAL FUC 0.609375 0.970588
78 BQZ 0.608696 0.909091
79 BGC GAL NAG GAL 0.606061 0.733333
80 GAL NAG GAL GLC 0.606061 0.733333
81 BMA BMA BMA BMA 0.603448 0.941176
82 M3M 0.6 1
83 LB2 0.6 1
84 NGR 0.6 1
85 MAN GLC 0.6 1
86 MAL EDO 0.592593 0.942857
87 BGC BGC BGC XYS GAL 0.588235 0.942857
88 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
89 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
90 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
91 LAT NAG GAL 0.588235 0.733333
92 GLC GAL NAG GAL 0.588235 0.733333
93 NGA GAL BGC 0.587302 0.733333
94 TRE 0.581395 1
95 ABD 0.57971 0.75
96 NLC 0.578947 0.733333
97 NDG GAL 0.578947 0.733333
98 GAL NDG 0.578947 0.733333
99 5GO 0.578947 0.66
100 DEL 0.574074 0.970588
101 MVP 0.571429 0.733333
102 GAL NGA GLA BGC GAL 0.571429 0.733333
103 GAL BGC BGC XYS 0.569231 0.942857
104 SGA BGC 0.568965 0.66
105 BGC BGC 0.566038 0.914286
106 BMA BMA 0.566038 0.914286
107 GLC GLC XYP 0.557377 1
108 BGC BGC XYS BGC 0.552239 0.942857
109 NAG GAL BGC 0.552239 0.733333
110 GLA GAL BGC 5VQ 0.551724 0.891892
111 G2F BGC BGC BGC BGC BGC 0.55 0.868421
112 GLA MBG 0.54902 0.942857
113 GLC ACI G6D BGC 0.547945 0.733333
114 GLC G6D ACI GLC 0.547945 0.733333
115 GLC ACI GLD GLC 0.547945 0.733333
116 GLC G6D ADH GLC 0.547945 0.733333
117 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
118 BGC BGC BGC GLC BGC BGC 0.545455 1
119 BMA BMA MAN 0.535714 1
120 MAN MAN BMA 0.535714 1
121 NGA GLA GAL BGC 0.535211 0.733333
122 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
123 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
124 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
125 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
126 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
127 BMA MAN MAN MAN 0.525424 1
128 GLA GAL GLC NBU 0.52459 0.846154
129 FUC BGC GAL 0.52459 0.970588
130 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.733333
131 GLC ACI GLD GAL 0.519481 0.702128
132 GLC ACI G6D GLC 0.519481 0.702128
133 BGC BGC BGC FRU 0.516129 0.868421
134 DOM 0.509091 0.942857
135 G3I 0.507937 0.767442
136 LMU 0.507937 0.785714
137 DMU 0.507937 0.785714
138 UMQ 0.507937 0.785714
139 OXZ BGC BGC 0.507937 0.6875
140 G2I 0.507937 0.767442
141 LMT 0.507937 0.785714
142 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
143 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
144 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
145 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
146 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
147 FMO 0.5 0.868421
148 MAN BMA NAG 0.5 0.733333
149 SOR GLC GLC 0.5 0.970588
150 GLA GAL NAG 0.5 0.733333
151 8VZ 0.5 0.673469
152 ACR GLC GLC GLC 0.493827 0.702128
153 GLC GLC DAF BGC 0.493827 0.702128
154 GLC GLC ACI G6D GLC GLC 0.493827 0.702128
155 ARE 0.493827 0.733333
156 GLC GLC AGL HMC GLC 0.493827 0.702128
157 AAO 0.493827 0.733333
158 GLC GLC XYS 0.492308 0.970588
159 MAN BMA MAN 0.491803 1
160 CGC 0.491525 0.941176
161 5QP 0.491228 0.885714
162 GAL MBG 0.490909 0.942857
163 MDM 0.490909 0.942857
164 RZM 0.490909 0.688889
165 M13 0.490909 0.942857
166 GAL NAG MAN 0.485294 0.733333
167 SOR GLC GLC GLC 0.484848 0.970588
168 GLO GLC GLC GLC 0.484848 0.970588
169 6UZ 0.484848 0.846154
170 LAG 0.484848 0.6
171 GAL BGC NAG GAL 0.478873 0.733333
172 GTM BGC BGC 0.477612 0.868421
173 10M 0.477612 0.733333
174 MAN MAN MAN MAN 0.476923 1
175 MAN MAN BMA MAN 0.476923 1
176 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
177 GAL GAL SO4 0.47619 0.66
178 NAG BMA 0.47619 0.653061
179 GAL NGA 0.47541 0.733333
180 A2G GAL 0.47541 0.733333
181 GAL A2G 0.47541 0.733333
182 GLA BMA 0.472727 1
183 GLC BGC 0.472727 1
184 GAL GAL 0.472727 1
185 GLA GLC 0.472727 1
186 BGC GLA 0.472727 1
187 GAL GLC 0.472727 1
188 GLA BGC 0.472727 1
189 BMA GLA 0.472727 1
190 BMA MAN 0.472727 1
191 MAN MAN 0.472727 1
192 BGC GLC 0.472727 1
193 MLB 0.472727 1
194 GLC GLC 0.472727 1
195 MAN BMA 0.472727 1
196 LAK 0.472727 1
197 NPJ 0.470588 0.622642
198 FUC GAL NAG GAL BGC 0.469136 0.717391
199 GAL GLC NAG GAL FUC 0.469136 0.717391
200 GLC NAG GAL GAL FUC 0.469136 0.717391
201 MAN MAN MAN GLC 0.46875 1
202 ABL 0.466667 0.702128
203 FRU GAL 0.465517 0.842105
204 BMA FRU 0.465517 0.842105
205 DAF BGC 0.464789 0.733333
206 DAF GLC 0.464789 0.733333
207 TM6 0.463768 0.916667
208 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
209 LSE 0.462687 0.6875
210 FUC GLA GLA 0.460317 0.970588
211 GAL GAL FUC 0.460317 0.970588
212 FUC GAL GLA 0.460317 0.970588
213 GLA GLA FUC 0.460317 0.970588
214 GLA GAL FUC 0.460317 0.970588
215 IFM BMA 0.457627 0.711111
216 9MR 0.457627 0.744186
217 IFM BGC 0.457627 0.711111
218 BMA IFM 0.457627 0.711111
219 BGC OXZ 0.457627 0.666667
220 RCB 0.457143 0.622642
221 GLO GLC GLC 0.457143 0.942857
222 MAN MAN MAN 0.45614 1
223 GLC GLC GLC GLC BGC 0.45614 1
224 GLC GLC GLC GLC GLC BGC 0.45614 1
225 BMA MAN MAN 0.45614 1
226 GLC GLC GLC 0.45614 1
227 WOO 0.454545 0.848485
228 GIV 0.454545 0.848485
229 BGC 0.454545 0.848485
230 ALL 0.454545 0.848485
231 GAL 0.454545 0.848485
232 GLA 0.454545 0.848485
233 GLC 0.454545 0.848485
234 GXL 0.454545 0.848485
235 BMA 0.454545 0.848485
236 MAN 0.454545 0.848485
237 ACI GLD GLC GAL 0.453333 0.733333
238 DAF BGC GLC 0.453333 0.733333
239 DAF GLC GLC 0.453333 0.733333
240 MGL SGC BGC BGC 0.450704 0.868421
241 MGL SGC GLC GLC 0.450704 0.868421
242 CM5 0.450704 0.891892
243 MAN MAN MAN BMA MAN 0.450704 1
244 BGC BGC SGC MGL 0.450704 0.868421
245 MAN MNM 0.45 0.702128
246 GLC DMJ 0.45 0.695652
247 A2G GAL BGC FUC 0.45 0.717391
248 NOJ GLC 0.45 0.695652
249 NOY BGC 0.45 0.702128
250 BMA MAN MAN MAN MAN 0.449275 1
251 GCS GCS 0.448276 0.767442
252 PA1 GCS 0.448276 0.767442
253 M5S 0.447761 1
254 MAN BMA MAN MAN MAN 0.447761 1
255 TXT 0.447368 0.767442
256 GAC 0.447368 0.767442
257 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
258 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
259 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
260 NAG GAL GAL NAG GAL 0.445946 0.6875
261 NAG GAL GAL NAG 0.445946 0.6875
262 MA4 0.444444 0.891892
263 QV4 0.444444 0.733333
264 MAN DGO 0.440678 0.914286
265 3SA 0.44 0.733333
266 Z6J 0.439024 0.742857
267 GLC GLC GLC PO4 SGC GLC 0.439024 0.66
268 AHR 0.439024 0.742857
269 RIB 0.439024 0.742857
270 FUB 0.439024 0.742857
271 32O 0.439024 0.742857
272 T6P 0.438596 0.767442
273 MMA 0.4375 0.857143
274 MBG 0.4375 0.857143
275 GYP 0.4375 0.857143
276 AMG 0.4375 0.857143
277 MAN G63 0.435484 0.653061
278 GDQ GLC 0.435484 0.666667
279 4MU BGC BGC 0.434211 0.767442
280 ISX 0.433333 0.761905
281 MAN 7D1 0.431034 0.888889
282 ACR 0.43038 0.733333
283 QPS 0.43038 0.733333
284 GAL MGC 0.428571 0.702128
285 4MU BGC BGC BGC BGC 0.428571 0.767442
286 GAL NDG FUC 0.422535 0.717391
287 FUC NDG GAL 0.422535 0.717391
288 HMC AGL GLC 0.421053 0.717391
289 KHO 0.421053 0.888889
290 GCS GCS GCS 0.419355 0.767442
291 GCS GCS GCS GCS GCS 0.419355 0.767442
292 GCS GCS GCS GCS GCS GCS 0.419355 0.767442
293 GAL NAG GAL 0.418919 0.702128
294 NGT GAL 0.41791 0.66
295 GAL NGT 0.41791 0.66
296 P3M 0.41791 0.767442
297 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
298 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
299 TUR 0.416667 0.842105
300 BTU 0.416667 0.842105
301 GLC FRU 0.416667 0.842105
302 GLA MAN ABE 0.414286 0.916667
303 NAG NAG BMA 0.413333 0.634615
304 NAG NDG BMA 0.413333 0.634615
305 ACR GLC GLC GLC GLC 0.4125 0.702128
306 ACR GLC 0.4125 0.702128
307 AHR AHR AHR AHR AHR AHR 0.410714 0.857143
308 FUB AHR AHR 0.410714 0.857143
309 VAM 0.409836 0.868421
310 GLF B8D 0.409836 0.775
311 DAF GLC DAF GLC GLC 0.409639 0.702128
312 ACI GLD GLC ACI G6D BGC 0.409639 0.702128
313 AC1 GLC AC1 BGC 0.409639 0.702128
314 ACI G6D GLC ACI G6D BGC 0.409639 0.702128
315 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.702128
316 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.702128
317 MAN MMA MAN 0.409091 0.942857
318 FUB AHR 0.407407 0.857143
319 AHR AHR 0.407407 0.857143
320 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.653061
321 4U0 0.406593 0.66
322 BGC BGC SSG PIH 0.405063 0.767442
323 GLA MAN RAM ABE 0.405063 0.891892
324 G1P 0.403846 0.697674
325 GL1 0.403846 0.697674
326 XGP 0.403846 0.697674
327 M1P 0.403846 0.697674
328 GLC IFM 0.403226 0.727273
329 MAN IFM 0.403226 0.727273
330 MAN MAN MAN MAN MAN MAN MAN 0.402597 1
331 XZZ BGC BGC 0.402439 0.702128
332 ACG 0.402299 0.695652
333 FUC GAL 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T7I; Ligand: LAT NAG GAL; Similar sites found with APoc: 422
This union binding pocket(no: 1) in the query (biounit: 5t7i.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3E85 BSU None
2 5ML3 DL3 None
3 1VYF OLA None
4 2YG2 FLC None
5 2YG2 S1P None
6 3E2M E2M None
7 3ZO7 K6H None
8 5UR1 YY9 None
9 5BU3 4W9 None
10 1OGX EQU None
11 2E56 MYR None
12 1AJ0 PH2 None
13 1AJ0 SAN None
14 4XIZ LPP None
15 2YIP YIO None
16 5V3D FCN None
17 4NJS G08 None
18 1N9L FMN None
19 4MUV PCG None
20 3STD MQ0 None
21 5GP0 GPP None
22 5F2T PLM None
23 6GR0 F8W None
24 3M3E GAL A2G NPO 1.29032
25 4RFR RHN 1.29032
26 5EPQ OLA 1.29032
27 4B7P 9UN 1.29032
28 1QRP HH0 1.29032
29 4FHD 0TT 1.93548
30 4FHD EEM 1.93548
31 3QRC SCR 1.93548
32 5DQ8 FLF 1.93548
33 3WDX BGC BGC GLC 1.93548
34 4Q0P 0MK 1.93548
35 4ZL4 4PK 1.93548
36 5A67 3PO 1.93548
37 3TYZ XHP 1.93548
38 4XCB HY0 1.93548
39 4XCB AKG 1.93548
40 1KQW RTL 2.23881
41 1KGI T4A 2.3622
42 1ZB6 DIN 2.58065
43 1ZB6 GST 2.58065
44 2XMY CDK 2.58065
45 5E2N V14 2.58065
46 3N0Y APC 2.58065
47 4MP8 MLI 2.58065
48 4MP8 NAD 2.58065
49 3GC8 B45 2.58065
50 3AGC RCC 2.58065
51 3WW2 SF6 2.58065
52 3MF2 AMP 2.58065
53 3WW2 LPK 2.58065
54 1ODM ASV 2.58065
55 1OPK P16 2.58065
56 4HK8 XYP XYP XYP XYP XYP XYP 2.58065
57 1PZO CBT 2.6616
58 1BHX ASP PHE GLU GLU ILE 2.72109
59 4J8T DOG 2.91971
60 3IWD M2T 2.94118
61 1NKI PPF 2.96296
62 5BVB DOG 3.0303
63 3ZXR P3S 3.22581
64 3ZXR IQ1 3.22581
65 4WUP 3UF 3.22581
66 3FW9 SLX 3.22581
67 3FW4 CAQ 3.22581
68 4K5S PM0 3.22581
69 2HXT EHM 3.22581
70 4ORR PE3 3.22581
71 2ZMF CMP 3.22581
72 1MEX RAC 3.22581
73 5E7V M7E 3.22581
74 3RGA LSB 3.22581
75 5DXI TRE 3.22581
76 1CZI PRO PHI SMC NOR 3.22581
77 1I7E IBS 3.22581
78 2DKH 3HB 3.22581
79 2DM6 NAP 3.22581
80 4WTR BGC BGC 3.22581
81 3KFF ZBT 3.22581
82 3KFF XBT 3.22581
83 2Q4H AMP 3.22581
84 2AXR ABL 3.22581
85 1SDW IYT 3.22581
86 3KFC 61X 3.22581
87 2PVN P63 3.22581
88 4WW8 VD9 3.22581
89 4OCV ANP 3.22581
90 2Q0D ATP 3.22581
91 5O9W AKG 3.22581
92 2NVA PL2 3.22581
93 5X7Q GLC GLC GLC GLC GLC 3.22581
94 4YZC STU 3.87097
95 2AG4 OLA 3.87097
96 2AG4 LP3 3.87097
97 5NBP BGC BGC BGC 3.87097
98 4KYS VIB 3.87097
99 5IXG OTP 3.87097
100 2QX0 PH2 3.87097
101 5AYT L6Y 3.87097
102 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 3.87097
103 3MPB FRU 3.87097
104 6FE1 V14 3.87097
105 4HWT 1B2 3.87097
106 5INJ 6C7 3.87097
107 5I0U DCY 3.87097
108 5DYO FLU 3.87097
109 5OX6 A1Z 3.87097
110 3D91 REM 3.87097
111 4BR5 ANP 3.87097
112 5YIC 8VO 3.87097
113 5H9Y BGC BGC BGC BGC 3.87097
114 6EOZ AKG 3.87097
115 6EOZ 58K 3.87097
116 2J3M PRI 3.87097
117 2J3M ATP 3.87097
118 3PQB VGP 3.87097
119 4NZN 2OU 3.87097
120 4NZN ANP 3.87097
121 3VMG 9CA 3.87097
122 3PP0 03Q 3.87097
123 1UMZ BGC BGC XYS BGC XYS GAL 3.87097
124 4H69 10Y 3.87097
125 2R5V HHH 3.87097
126 5JSP DQY 3.87097
127 2DW7 SRT 3.87097
128 3VSV XYP 3.87097
129 2OVW CBI 3.87097
130 1LFO OLA 3.90625
131 2HFN FMN 3.92157
132 5WL1 CUY 4.0404
133 5WL1 D3D 4.0404
134 5NCF 8T5 4.42478
135 2P7Q GG6 4.51128
136 5DRB 5FJ 4.51613
137 4IE6 UN9 4.51613
138 3Q8G PEE 4.51613
139 3PG7 PTY 4.51613
140 5U98 1KX 4.51613
141 4WW7 AMP 4.51613
142 3OZ2 OZ2 4.51613
143 4OMJ 2TX 4.51613
144 2GJ5 VD3 4.51613
145 2HZQ STR 4.51613
146 1F52 ADP 4.51613
147 3FW3 ETS 4.51613
148 4V24 GYR 4.51613
149 2C49 ADN 4.51613
150 2IUW AKG 4.51613
151 2RG0 CTT 4.51613
152 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 4.51613
153 3B00 16A 4.51613
154 3H5N ATP 4.51613
155 2XXP DSL 4.51613
156 3UG4 AHR 4.51613
157 4U03 GTP 4.51613
158 1Z2P I3S 4.51613
159 1Z2P ACP 4.51613
160 3TDV GDP 4.51613
161 5NW7 9C2 4.51613
162 4MLO PAM 4.51613
163 4ZS4 ATP 4.51613
164 4XWT U5P 4.51613
165 1TYU GLA MAN RAM TYV GLA MAN RAM TYV 4.51613
166 1OLM VTQ 4.51613
167 4UXL 5P8 4.51613
168 2RFZ CTR 4.51613
169 5FU3 BGC BGC BGC 4.71698
170 3TCT 3MI 4.72441
171 5OCG 9R5 4.7619
172 5KEW 6SB 4.86111
173 5N2D 8J8 4.86111
174 1Y2F WAI 5.03597
175 4JH6 FCN 5.07246
176 2QL9 CIT 5.15464
177 4MNS 2AX 5.16129
178 5HA0 LTD 5.16129
179 5DEY 59T 5.16129
180 2XK9 XK9 5.16129
181 1PN0 FAD 5.16129
182 4QDC ASD 5.16129
183 4QDF 30Q 5.16129
184 1UU6 BGC BGC BGC BGC 5.16129
185 1ERB ETR 5.16129
186 4KBA 1QM 5.16129
187 5C3R AKG 5.16129
188 5C3R HMU 5.16129
189 1ZM1 BGC BGC BGC 5.16129
190 1GQG DCD 5.16129
191 3AMN CBK 5.16129
192 3AMN CBI 5.16129
193 1PN0 IPH 5.16129
194 2ZYI STE 5.16129
195 3PTQ NFG 5.16129
196 4J7Q B7N 5.16129
197 2OAZ I96 5.16129
198 3JRS A8S 5.16129
199 2JEN GLC GLC BGC XYS BGC XYS 5.16129
200 3KDJ A8S 5.16129
201 5H2D ERG 5.16129
202 3QP8 HL0 5.16129
203 3IAL PR8 5.16129
204 5FP3 3JI 5.16129
205 6GNO XDI 5.18518
206 5RHN 8BR 5.21739
207 1N5S ADL 5.35714
208 5NIU 8YZ 5.46875
209 5N2F 8HW 5.64516
210 4IPH 1FJ 5.69106
211 3PFG SAM 5.80645
212 3PFG TLO 5.80645
213 4XV1 904 5.80645
214 5A3T MMK 5.80645
215 6MPT C30 5.80645
216 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 5.80645
217 2Y6O 1N1 5.80645
218 4LA7 A1O 5.80645
219 4CQE CQE 5.80645
220 4H6B 10X 5.80645
221 4H6B 10Y 5.80645
222 2JIG PD2 5.80645
223 1ZP9 ATP 5.80645
224 5EQU 5R6 5.80645
225 1Z03 OCH 5.80645
226 2NSX IFM 5.80645
227 5KBF CMP 5.80645
228 3L24 GOA 5.80645
229 2DIO EOD 5.85106
230 6EWZ GTP 5.90717
231 3I7V ATP 5.97015
232 3WSJ MK1 6.03448
233 4INI AMP 6.15385
234 5FPX GLY SER SER HIS HIS HIS HIS HIS 6.19469
235 3T50 FMN 6.25
236 4H2V AMP 6.36364
237 3QUZ QUV 6.45161
238 5FKP 6UL 6.45161
239 3SCM LGN 6.45161
240 4X6F 3XU 6.45161
241 3G08 FEE 6.45161
242 4K55 H6P 6.45161
243 4WVO 3UZ 6.45161
244 3B1Q NOS 6.45161
245 3MHA Z69 6.45161
246 3HXG GTA 6.45161
247 5HV0 AKG 6.45161
248 1EWF PC1 6.45161
249 4J36 1HR 6.45161
250 3UH0 TSB 6.45161
251 3W68 VIV 6.45161
252 3TAY MN0 6.45161
253 4J36 FAD 6.45161
254 2YGO PCF 6.45161
255 5K8B PDG 6.45161
256 3CF6 SP1 6.45161
257 1TMM HHR 6.45161
258 1TMM APC 6.45161
259 1URX AAL GAL AAL GLA 6.45161
260 2CM4 RCL 6.66667
261 4WHZ 3NL 7.09677
262 5EW9 5VC 7.09677
263 4HWS 1B3 7.09677
264 5YBN AKG 7.09677
265 3TTI KBI 7.09677
266 4GJ3 0XP 7.09677
267 4EE7 PIS 7.09677
268 4P8K FAD 7.09677
269 4P8K 38C 7.09677
270 2OFV 242 7.09677
271 5FP4 YC8 7.09677
272 5LIA 6XN 7.09677
273 5ZM4 9FU 7.09677
274 5ZM4 AKG 7.09677
275 5IVE 6E8 7.09677
276 6GVZ CHO 7.09677
277 3B6R ADP 7.09677
278 3DLG GWE 7.09677
279 4ZU4 4TG 7.43243
280 5Y72 DST 7.74194
281 3E8N ATP 7.74194
282 3E8N VRA 7.74194
283 2WA4 069 7.74194
284 2YAK OSV 7.74194
285 5XVG 8FX 7.74194
286 4RF7 ARG 7.74194
287 6D61 4AA 7.74194
288 3AXX CBI 7.74194
289 3SLS ANP 7.74194
290 4IAW LIZ 7.74194
291 3T1A 5MA 7.74194
292 4WOE ADP 7.74194
293 5DX9 T6P 7.74194
294 3SLS 77D 7.74194
295 2AGC DAO 7.74194
296 5NBW 8SK 7.74194
297 1EC9 XYH 7.74194
298 4RLT FSE 8.16327
299 4BVM VCA 8.27068
300 1QY1 PRZ 8.3871
301 3RUG DB6 8.3871
302 3RJY GLC 8.3871
303 1IIU RTL 8.3871
304 5ETR APC 8.3871
305 5ETR 5RW 8.3871
306 3M3R BCD 8.3871
307 2YNE NHW 8.3871
308 2YNE YNE 8.3871
309 1NYW DAU 8.3871
310 1ELI PYC 8.3871
311 4BG4 ADP 8.3871
312 1LEK GLU GLN TYR LYS PHE TYR SER VAL 8.3871
313 4A4X JUP 8.3871
314 3GL0 HXX 8.3871
315 5EYK 5U5 8.47458
316 3MTX PGT 8.60927
317 1Y7P RIP 8.96861
318 1ST0 GTG 9.03226
319 5IXH OTP 9.03226
320 1KQN NAD 9.03226
321 5HES 032 9.03226
322 3L8W XAN 9.03226
323 2YKL NLD 9.03226
324 5VNF VAL THR SER VAL VAL 9.03226
325 4B1M FRU FRU 9.03226
326 5FUI APY 9.09091
327 4WN5 MVC 9.56522
328 6E08 NAP 9.67742
329 5A65 TPP 9.67742
330 1DZK PRZ 9.67742
331 4GYI ADP 9.67742
332 4L4J NAG NAG BMA MAN NAG 9.67742
333 3LVW GSH 9.67742
334 3THR C2F 9.67742
335 5GJO PLP 9.67742
336 1MJJ HAL 9.67742
337 3AKK ADP 9.67742
338 4M1U A2G MBG 10
339 2Z77 HE7 10.0719
340 2BOS GLA GAL 10.2941
341 4U0W 16G 10.3226
342 5BVE 4VG 10.3226
343 5J75 6GQ 10.3226
344 1MH5 HAL 10.3226
345 4BVA T3 10.3226
346 3RE4 TO1 10.3226
347 4H3P ANP 10.3226
348 4P25 FUC GAL NAG FUC 10.3226
349 6HLY G9Z 10.3226
350 4H2W 5GP 10.6796
351 4H2W AMP 10.6796
352 4H2X G5A 10.6796
353 2VFT SOR 10.9677
354 1QIN GIP 10.9677
355 5W1E PHB 10.9677
356 5FXD H7Y 10.9677
357 4G31 0WH 10.9677
358 3VKC FPQ 10.9677
359 4YGF AZM 10.9677
360 5OCQ 9RN G4S 9RN G4S 10.9677
361 5K2M ADP 11.3208
362 4ZSI 4R1 11.6129
363 4ZSI GLP 11.6129
364 3RWP ABQ 11.6129
365 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 11.6129
366 6EZ6 C5Z 11.6129
367 2WQN ADP 11.6129
368 2HRL SIA GAL SIA BGC NGA CEQ 11.811
369 3VQ2 LP4 LP5 MYR DAO 12.2581
370 4D5B ACX 12.2581
371 5FBN 5WF 12.2581
372 2OBD 2OB 12.2581
373 1J3R 6PG 12.2581
374 1GP6 QUE 12.2581
375 1GP6 SIN 12.2581
376 1GP6 DH2 12.2581
377 5H5A 6OU 12.2581
378 5EYP GTP 12.2581
379 5KD6 6C7 12.9032
380 5KD6 LBU 12.9032
381 1VA6 P2S 12.9032
382 1VA6 ADP 12.9032
383 3T4L ZEA 12.9032
384 2YJ0 420 13.0435
385 2A1L PCW 13.5484
386 4WO4 JLS 13.5484
387 3HUJ AGH 13.5484
388 4PFC 2QX 13.5484
389 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 13.5484
390 3FON VAL ASN ASP ILE PHE GLU ALA ILE 14.1935
391 2I74 MAN MAN MAN MAN 14.1935
392 4R3U 3HC 14.1935
393 4R3U 3KK 14.1935
394 1U6R ADP 14.1935
395 4F7E 0SH 14.2857
396 3L9R L9R 14.2857
397 3L9R L9Q 14.2857
398 4QCK ASD 15.4839
399 4N9I PCG 15.4839
400 3KCC CMP 15.4839
401 3AJH BL3 16.129
402 5XEG AKG 16.129
403 1U0A BGC BGC BGC BGC 16.7742
404 1VRP ADP 16.7742
405 2RDE C2E 16.7742
406 5EIB GTP 17.3913
407 4NFN 2KC 17.4194
408 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 17.4194
409 4BTK DTQ 17.4194
410 2GC0 PAN 18.0645
411 4NV7 COA 19.3548
412 2PYW ADP 19.3548
413 1TT8 PHB 20
414 4QA8 PJZ 21.2903
415 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 21.9355
416 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 22.5806
417 5TBM 79A 22.6087
418 5D2R 56W 23.2258
419 3PUR 2HG 23.871
420 1UNB PN1 25.1613
421 1UNB AKG 25.1613
422 3VV1 GAL FUC 32.9032
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