Receptor
PDB id Resolution Class Description Source Keywords
2EAK 1.97 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN GALECTIN-9 N-TERMINAL CRD IN COMP LACTOSE HOMO SAPIENS BETA SANDWICH CARBOHYDRATE BINDING PROTEIN GALECTIN SUGARPROTEIN
Ref.: STRUCTURAL ANALYSIS OF THE HUMAN GALECTIN-9 N-TERMI CARBOHYDRATE RECOGNITION DOMAIN REVEALS UNEXPECTED PROPERTIES THAT DIFFER FROM THE MOUSE ORTHOLOGUE. J.MOL.BIOL. V. 375 119 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DTV A:278;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C([C@...
GOL B:279;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
LBT A:149;
C:149;
Valid;
Valid;
none;
none;
submit data
342.296 C12 H22 O11 C([C@...
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: 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 : 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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