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Receptor
PDB id Resolution Class Description Source Keywords
3NV3 1.57 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN GALECTIN-9 C-TERMINAL CRD IN COMP BIANTENNARY OLIGOSACCHARIDE HOMO SAPIENS SUGAR BINDING SUGAR BINDING PROTEIN
Ref.: X-RAY STRUCTURES OF HUMAN GALECTIN-9 C-TERMINAL DOM COMPLEXES WITH A BIANTENNARY OLIGOSACCHARIDE AND SIALYLLACTOSE J.BIOL.CHEM. V. 285 36969 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL NAG MAN A:501;
Valid;
none;
submit data
545.491 n/a O=C(N...
NI A:401;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NV3 1.57 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN GALECTIN-9 C-TERMINAL CRD IN COMP BIANTENNARY OLIGOSACCHARIDE HOMO SAPIENS SUGAR BINDING SUGAR BINDING PROTEIN
Ref.: X-RAY STRUCTURES OF HUMAN GALECTIN-9 C-TERMINAL DOM COMPLEXES WITH A BIANTENNARY OLIGOSACCHARIDE AND SIALYLLACTOSE J.BIOL.CHEM. V. 285 36969 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3NV2 - GAL NDG n/a n/a
2 3NV4 - SIA GAL BGC n/a n/a
3 3NV3 - GAL NAG MAN n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 3NV2 - GAL NDG n/a n/a
2 3NV4 - SIA GAL BGC n/a n/a
3 3NV3 - GAL NAG MAN n/a n/a
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: GAL NAG MAN; Similar ligands found: 274
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NAG MAN 1 1
2 LAT NAG GAL 0.697368 1
3 GLC GAL NAG GAL 0.697368 1
4 NAG GAL GAL NAG GAL 0.684211 0.9375
5 NAG GAL GAL NAG 0.684211 0.9375
6 GAL NAG GAL NAG GAL NAG 0.684211 0.918367
7 GAL NAG GAL 0.657895 0.957447
8 NAG NAG BMA 0.649351 0.865385
9 NAG NDG BMA 0.649351 0.865385
10 NDG GAL 0.632353 1
11 GAL NDG 0.632353 1
12 NLC 0.632353 1
13 GAL NAG GAL BGC 0.62963 0.957447
14 2M4 0.612903 0.733333
15 NAG NAG BMA MAN 0.6 0.865385
16 NDG NAG NAG NDG 0.594595 0.918367
17 NDG NAG NAG 0.594595 0.918367
18 CTO 0.594595 0.918367
19 NAG NAG NAG NAG NAG NAG NAG NAG 0.594595 0.918367
20 NAG NAG NAG NDG 0.594595 0.918367
21 NDG NAG NAG NAG 0.594595 0.918367
22 NAG NAG NAG NAG NAG NAG 0.594595 0.918367
23 NAG NAG NAG NAG NAG 0.594595 0.918367
24 NAG NAG NAG NAG NDG 0.594595 0.918367
25 NAG NAG NDG 0.594595 0.918367
26 NAG NAG NDG NAG 0.594595 0.918367
27 8VZ 0.585714 0.918367
28 NAG NAG BMA MAN MAN 0.58427 0.9375
29 FUC BGC GAL NAG GAL 0.58427 0.978261
30 NAG MAN MAN MAN NAG GAL NAG GAL 0.580645 0.918367
31 MAN BMA NAG NAG MAN NAG GAL GAL 0.580645 0.918367
32 GLA GAL NAG 0.578947 1
33 MAN BMA NAG 0.578947 1
34 MAN MAN BMA 0.573529 0.733333
35 BMA BMA MAN 0.573529 0.733333
36 NGA GAL BGC 0.571429 1
37 NAG MAN BMA MAN NAG GAL 0.569892 0.9375
38 GAL BGC NAG GAL 0.555556 1
39 NAG MAN BMA NDG MAN NAG GAL 0.55102 0.918367
40 NGA GLA GAL BGC 0.547619 1
41 NAG NAG BMA MAN MAN NAG GAL NAG 0.545455 0.918367
42 NAG GAL NAG 0.54321 0.9375
43 NAG GAL BGC 0.54321 1
44 NDG NAG 0.540541 0.9375
45 CBS 0.540541 0.9375
46 CBS CBS 0.540541 0.9375
47 NAG GDL 0.540541 0.9375
48 TCG 0.536585 0.775862
49 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.534653 0.9375
50 FUC C4W NAG BMA 0.532609 0.865385
51 GAL NAG GAL GLC 0.53012 1
52 BGC GAL NAG GAL 0.53012 1
53 NAG NAG NAG 0.52439 0.849057
54 NAG NAG NAG NAG 0.52439 0.849057
55 GAL NGA GLA BGC GAL 0.523256 1
56 GAL NGA 0.520548 1
57 A2G GAL 0.520548 1
58 GAL A2G 0.520548 1
59 MBG A2G 0.513158 0.957447
60 A2G MBG 0.513158 0.957447
61 MAN MAN MAN GLC 0.513158 0.733333
62 NAG NAG BMA MAN NAG 0.510204 0.849057
63 NAG NAG BMA MAN MAN MAN MAN 0.509615 0.865385
64 NAG BMA 0.5 0.897959
65 NAG NAG BMA BMA 0.5 0.833333
66 NOJ NAG NAG NAG 0.5 0.803571
67 NOJ NAG NAG 0.5 0.818182
68 FUC C4W NAG BMA MAN 0.5 0.865385
69 NAG BMA NAG MAN MAN NAG NAG 0.494949 0.918367
70 M5G 0.485437 0.9375
71 MAB 0.485294 0.733333
72 BGC BMA 0.485294 0.733333
73 B2G 0.485294 0.733333
74 GLC GAL 0.485294 0.733333
75 MAL 0.485294 0.733333
76 GLA GAL 0.485294 0.733333
77 GLA GLA 0.485294 0.733333
78 CBK 0.485294 0.733333
79 N9S 0.485294 0.733333
80 BGC GAL 0.485294 0.733333
81 LAT 0.485294 0.733333
82 BMA GAL 0.485294 0.733333
83 LBT 0.485294 0.733333
84 CBI 0.485294 0.733333
85 GAL BGC 0.485294 0.733333
86 Z4S NAG NAG 0.482759 0.849057
87 FUL GAL NAG 0.481928 0.978261
88 NDG GAL FUC 0.481928 0.978261
89 GAL NAG FUC 0.481928 0.978261
90 G6S NAG 0.481928 0.725806
91 NAG GAL FUC 0.481928 0.978261
92 FUC GAL NDG 0.481928 0.978261
93 FUC GAL NAG 0.481928 0.978261
94 DR2 0.481928 0.978261
95 NAG NAG FUL BMA MAN MAN NAG GAL 0.481818 0.849057
96 GAL MGC 0.48 0.957447
97 CE5 0.478873 0.733333
98 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.478873 0.733333
99 GLA GAL GLC 0.478873 0.733333
100 BMA BMA BMA BMA BMA BMA 0.478873 0.733333
101 BGC BGC BGC 0.478873 0.733333
102 GLC GLC GLC GLC GLC 0.478873 0.733333
103 BGC BGC BGC GLC 0.478873 0.733333
104 CTT 0.478873 0.733333
105 GLC BGC BGC 0.478873 0.733333
106 BMA BMA BMA 0.478873 0.733333
107 GLC GAL GAL 0.478873 0.733333
108 BGC GLC GLC GLC 0.478873 0.733333
109 CTR 0.478873 0.733333
110 CT3 0.478873 0.733333
111 BGC BGC GLC 0.478873 0.733333
112 GLA GAL BGC 0.478873 0.733333
113 MTT 0.478873 0.733333
114 B4G 0.478873 0.733333
115 CEY 0.478873 0.733333
116 GLC BGC BGC BGC BGC BGC 0.478873 0.733333
117 MAN MAN BMA BMA BMA BMA 0.478873 0.733333
118 GLC GLC BGC 0.478873 0.733333
119 BGC GLC GLC 0.478873 0.733333
120 MAN BMA BMA 0.478873 0.733333
121 GLC BGC BGC BGC 0.478873 0.733333
122 BGC BGC BGC BGC BGC 0.478873 0.733333
123 MT7 0.478873 0.733333
124 CEX 0.478873 0.733333
125 FUC GAL 0.478873 0.733333
126 CE6 0.478873 0.733333
127 BGC GLC GLC GLC GLC GLC GLC 0.478873 0.733333
128 BGC BGC BGC BGC BGC BGC 0.478873 0.733333
129 MAN BMA BMA BMA BMA BMA 0.478873 0.733333
130 GLC BGC BGC BGC BGC 0.478873 0.733333
131 BMA BMA BMA BMA BMA 0.478873 0.733333
132 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.478873 0.733333
133 BGC GLC GLC GLC GLC 0.478873 0.733333
134 DXI 0.478873 0.733333
135 GAL GAL GAL 0.478873 0.733333
136 BGC BGC BGC BGC 0.478873 0.733333
137 GLC BGC GLC 0.478873 0.733333
138 CE8 0.478873 0.733333
139 MLR 0.478873 0.733333
140 MAN BMA BMA BMA BMA 0.478873 0.733333
141 BMA MAN BMA 0.478873 0.733333
142 FUC GAL A2G 0.47619 0.978261
143 A2G GLA FUC 0.47619 0.978261
144 A2G GAL FUC 0.47619 0.978261
145 FUC GLA A2G 0.47619 0.978261
146 NGA GAL FUC 0.47619 0.978261
147 GLA EGA 0.472222 0.73913
148 DR5 0.471429 0.73913
149 MMA MAN 0.471429 0.73913
150 LAT GLA 0.470588 0.733333
151 NAG MAN BMA 0.46988 1
152 FUC NDG GAL 0.46988 0.978261
153 GAL NDG FUC 0.46988 0.978261
154 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.469388 1
155 NAG BMA MAN MAN MAN MAN 0.468085 1
156 NAG FUC 0.467532 0.934783
157 NAG GAL 0.467532 1
158 GAL NAG 0.467532 1
159 NAG AMU NAG AMV 0.467391 0.882353
160 NAG NAG NGT 0.466667 0.762712
161 NAG MAN MAN 0.465116 1
162 NAG NGA 0.461538 0.9375
163 NAG A2G 0.461538 0.9375
164 NAG A2G GAL 0.45977 0.9375
165 GLC NAG GAL GAL FUC 0.458333 0.978261
166 GAL GLC NAG GAL FUC 0.458333 0.978261
167 FUC GAL NAG GAL BGC 0.458333 0.978261
168 GLA NAG GAL FUC 0.455556 0.978261
169 GAL NAG GAL FUC 0.455556 0.978261
170 DLD 0.454545 0.775862
171 BGC GAL NAG GAL FUC FUC 0.454545 0.957447
172 GLC GAL NAG GAL FUC FUC 0.454545 0.957447
173 FUC C4W NAG BMA MAN MAN NAG 0.452174 0.865385
174 NDG BDP BDP NPO NDG 0.451923 0.703125
175 6Y2 0.450549 0.703125
176 FUC C4W NAG BMA MAN NAG 0.449541 0.865385
177 NAG NAG BMA MAN MAN NAG NAG 0.448598 0.849057
178 BGC GAL NAG SIA GAL 0.448276 0.849057
179 SIA GAL NAG GAL BGC 0.448276 0.849057
180 SIA GAL NAG GAL GLC 0.448276 0.849057
181 GLA GAL GAL 0.447368 0.733333
182 NAG MAN MMA 0.447059 0.957447
183 BGC BGC BGC BGC BGC BGC BGC BGC 0.443038 0.733333
184 NAG MBG 0.443038 0.957447
185 NAG GCU NAG GCD 0.442308 0.833333
186 A2G GAL NAG FUC 0.442105 0.918367
187 A2G GAL BGC FUC 0.442105 0.978261
188 FUC GAL NAG A2G 0.442105 0.918367
189 GAL NAG SIA GAL 0.441441 0.849057
190 NAG NDG 0.439024 0.846154
191 GAL NOK 0.439024 0.8
192 NAG NAG 0.439024 0.846154
193 GAL FUC 0.438356 0.733333
194 U63 0.438356 0.673469
195 AO3 0.4375 0.692308
196 NAA NAA AMI 0.4375 0.692308
197 MAN MAN NAG 0.436782 0.957447
198 FUC BGC GAL NAG 0.43617 0.978261
199 GLA GAL NAG FUC GAL GLC 0.435644 0.978261
200 MAG FUC GAL 0.435294 0.9375
201 GLC GLC XYP 0.432099 0.733333
202 NGA GAL 0.432099 0.93617
203 BCW 0.431818 0.957447
204 FUC NDG GAL FUC 0.431818 0.957447
205 GAL NAG FUC FUC 0.431818 0.957447
206 FUC GAL NDG FUC 0.431818 0.957447
207 FUC NAG GAL FUC 0.431818 0.957447
208 FUC GAL NAG FUC 0.431818 0.957447
209 BDZ 0.431818 0.957447
210 GAL NDG FUC FUC 0.431818 0.957447
211 NAG MAN MAN MAN NAG 0.430108 0.9375
212 GLA MBG 0.428571 0.73913
213 GLC GAL NAG GAL FUC A2G 0.428571 0.918367
214 A2G GAL NAG FUC GAL GLC 0.428571 0.918367
215 GAL NGA A2G 0.428571 0.9375
216 8VW 0.427083 0.849057
217 NAG AMU 0.426966 0.9
218 NAG MUB 0.426966 0.9
219 GAL LOG 0.426829 0.803571
220 MAL EDO 0.426667 0.702128
221 DR3 0.425287 0.978261
222 G2F BGC BGC BGC BGC BGC 0.425 0.66
223 GLA GAL BGC 5VQ 0.423077 0.708333
224 2F8 0.422535 0.893617
225 MAG 0.422535 0.893617
226 FUC GAL NAG GAL FUC 0.421053 0.957447
227 FUC NAG GLA GAL 0.421053 0.957447
228 UMG 0.42 0.803571
229 SN5 SN5 0.419753 0.803922
230 BMA Z4Y NAG 0.419355 0.978261
231 BQZ 0.41791 0.666667
232 GAL A2G MBN 0.41573 0.957447
233 NAG MAN 0.414634 0.957447
234 A2G SER GAL 0.413793 0.882353
235 GAL SER A2G 0.413793 0.882353
236 NGA SER GAL 0.413793 0.882353
237 GAL TNR 0.413793 0.882353
238 UNU GAL NAG 0.413043 0.918367
239 FUC GLA GLA 0.4125 0.755556
240 FUC GAL GLA 0.4125 0.755556
241 GAL GAL FUC 0.4125 0.755556
242 GLA GLA FUC 0.4125 0.755556
243 GLA GAL FUC 0.4125 0.755556
244 AH0 NAG 0.411111 0.833333
245 FUC C4W NAG BMA MAN MAN NAG NAG 0.410256 0.865385
246 FUC NAG GAL 0.409091 0.9
247 GLA GAL GLC NBU 0.407407 0.68
248 FUC BGC GAL 0.407407 0.755556
249 3QL 0.406977 0.865385
250 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.40566 0.918367
251 DOM 0.405405 0.702128
252 BMA BMA 0.405405 0.680851
253 BGC BGC 0.405405 0.680851
254 ASN NAG NAG BMA MAN MAN NAG NAG 0.405172 0.818182
255 BMA MAN MAN MAN 0.405063 0.733333
256 GAL A2G THR 0.404494 0.882353
257 GAL GC2 0.404494 0.6875
258 M3M 0.402778 0.733333
259 NGR 0.402778 0.733333
260 MAN GLC 0.402778 0.733333
261 LB2 0.402778 0.733333
262 HS2 0.402299 0.877551
263 GAL A2G NPO 0.402174 0.714286
264 NPO A2G GAL 0.402174 0.714286
265 GLC FUC GAL FUC A2G 0.402062 0.957447
266 NAG BDP NAG BDP NAG BDP NAG 0.402062 0.9
267 BGC FUC GAL FUC A2G 0.402062 0.957447
268 XYT 0.4 0.6
269 NG1 0.4 0.75
270 BMA BMA GLA BMA BMA 0.4 0.733333
271 GN1 0.4 0.75
272 WZ5 0.4 0.957447
273 NGT NAG 0.4 0.775862
274 GUM 0.4 0.803571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NV3; Ligand: GAL NAG MAN; Similar sites found with APoc: 466
This union binding pocket(no: 1) in the query (biounit: 3nv3.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3M3E GAL A2G NPO None
2 1TT8 PHB None
3 5A65 TPP None
4 5E2N V14 None
5 5HA0 LTD None
6 1OPB RET None
7 4HIA FMN None
8 5OO5 UUA None
9 5KJZ PCG None
10 3OZ2 OZ2 None
11 4OFG PCG None
12 2UX9 FMN None
13 4QRH 0O2 None
14 3FC2 IBI None
15 2D0N PRO SER ILE ASP ARG SER THR LYS PRO None
16 5NIU 8YZ None
17 1LFO OLA None
18 4K55 H6P None
19 5IXH OTP None
20 2QZT PLM None
21 2BOS GLA GAL GLC None
22 2BOS GLA GAL None
23 1UUO BRF None
24 1UUO FMN None
25 1UUO ORO None
26 5IXG OTP None
27 3T50 FMN None
28 5N2F 8HW None
29 2CM4 RCL None
30 3BZ3 YAM None
31 6GBV FMN None
32 5C8W PCG None
33 6E2B PT7 None
34 3A7R LAQ None
35 1Y7P RIP None
36 5HZX 2GE None
37 1SJD NPG None
38 3MTX PGT 1.44928
39 5H5A 6OU 1.44928
40 4LOO SB4 1.44928
41 2TPS TPS 1.44928
42 4GCZ FMN 1.44928
43 3AJH BL3 1.44928
44 5B09 4MX 1.92308
45 3N0Y APC 2.17391
46 3RWP ABQ 2.17391
47 5H2D ERG 2.17391
48 4USI ATP 2.17391
49 1ZM1 BGC BGC BGC 2.17391
50 4ZSI GLP 2.17391
51 4NW6 2NS 2.17391
52 3M3R BCD 2.17391
53 5BV6 35G 2.17391
54 3HY8 FMN 2.17391
55 3SCH TB6 2.17391
56 3GL0 HXX 2.17391
57 2C49 ADN 2.17391
58 4G2R H1L 2.17391
59 2PYW ADP 2.17391
60 4M2K PLP 2.17391
61 3NW7 LGV 2.17391
62 5BU3 4W9 2.17391
63 1KQW RTL 2.23881
64 2HRL SIA GAL SIA BGC NGA CEQ 2.3622
65 4QA8 PJZ 2.62009
66 5FPX GLY SER SER HIS HIS HIS HIS HIS 2.65487
67 4MP8 MLI 2.89855
68 4MP8 NAD 2.89855
69 3PFG TLO 2.89855
70 3PFG SAM 2.89855
71 2Q0D ATP 2.89855
72 5DS8 GLY 5CT GLY ALA 2.89855
73 3VMG 9CA 2.89855
74 4RYV ZEA 2.89855
75 3ETH ATP 2.89855
76 6FA4 D1W 2.89855
77 5DUB GLY 5GG GLY ALA 2.89855
78 6EHH 2GE 2.89855
79 3FW4 CAQ 2.89855
80 3E2M E2M 2.89855
81 5M77 7K2 7K3 2.89855
82 4D1J DGJ 2.89855
83 1OLM VTQ 2.89855
84 5N0F 7K2 2.89855
85 3T4L ZEA 2.89855
86 6D6L FY4 2.89855
87 1ODM ASV 3.62319
88 3HDY FAD 3.62319
89 3RJY GLC 3.62319
90 3HDY GDU 3.62319
91 3HDY FDA 3.62319
92 3W8X FTK 3.62319
93 3W8X FAD 3.62319
94 2AG4 OLA 3.62319
95 2AG4 LP3 3.62319
96 2XXP DSL 3.62319
97 3E85 BSU 3.62319
98 2AGC DAO 3.62319
99 4WW8 VD9 3.62319
100 3PNA CMP 3.62319
101 6EWZ APC 3.62319
102 1KJ8 GAR 3.62319
103 1KJ8 ATP 3.62319
104 3GF4 UPG 3.62319
105 1UU6 BGC BGC BGC BGC 3.62319
106 3ILR SGN 3.62319
107 3ILR SGN IXD 3.62319
108 3ILR IXD 3.62319
109 2I74 MAN MAN MAN MAN 3.62319
110 2YIP YIO 3.62319
111 4M1U A2G MBG 3.62319
112 2XK9 XK9 3.62319
113 4AG8 AXI 3.62319
114 3EKK GS2 3.62319
115 2JAR UMP 3.62319
116 1DMY AZM 3.62319
117 6CC0 EWM 3.62319
118 6EQS BV8 3.62319
119 4FFG 0U8 3.62319
120 1U0A BGC BGC BGC BGC 3.62319
121 6GNO XDI 3.7037
122 1OGZ EQU 4
123 5YBN AKG 4.34783
124 3AKK ADP 4.34783
125 4D5B ACX 4.34783
126 3DLG GWE 4.34783
127 5DEY 59T 4.34783
128 4J36 1HR 4.34783
129 3OGV PTQ 4.34783
130 4JH6 FCN 4.34783
131 5ANU 58T 4.34783
132 5EO8 TFU 4.34783
133 1DZK PRZ 4.34783
134 4OPC PGT 4.34783
135 4BJZ FAD 4.34783
136 4BJZ P3A 4.34783
137 2VFT SOR 4.34783
138 5W10 CMP 4.34783
139 1PZO CBT 4.34783
140 4OPC FDA 4.34783
141 5GP0 GPP 4.34783
142 1PX8 XYP 4.34783
143 3DNT ATP 4.34783
144 3KFF XBT 4.34783
145 3KFF ZBT 4.34783
146 1TIW FAD 4.34783
147 1TIW TFB 4.34783
148 1Z03 OCH 4.34783
149 3T1A 5MA 4.34783
150 4CQE CQE 4.34783
151 5LUN OGA 4.34783
152 4J36 FAD 4.34783
153 5OKL PAM 4.34783
154 5J75 6GQ 4.34783
155 5W4W 9WG 4.34783
156 5TA6 79D 4.34783
157 2V58 LZJ 4.34783
158 4EMV 0R9 4.34783
159 1IIU RTL 4.34783
160 1ZNY GDP 4.34783
161 1MAR NAP 4.34783
162 1MAR ZST 4.34783
163 3OYZ ACO 4.34783
164 4KBA 1QM 4.34783
165 2R5V HHH 4.34783
166 3EEB IHP 4.34783
167 4IAW LIZ 4.34783
168 2Z77 HE7 4.34783
169 2GQS C2R 4.34783
170 3ACL 3F1 4.34783
171 5HCF BGC 4.34783
172 5NW7 9C2 4.34783
173 1OGX EQU 4.58015
174 4J6W CTP 4.87805
175 4IGH 1EA 5.07246
176 4IGH ORO 5.07246
177 4IGH FMN 5.07246
178 5EPQ OLA 5.07246
179 1UNB PN1 5.07246
180 1UNB AKG 5.07246
181 5NKB 8ZT 5.07246
182 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 5.07246
183 3E8T UQ8 5.07246
184 2OBD 2OB 5.07246
185 4OCT AKG 5.07246
186 4KYS VIB 5.07246
187 3ZMR GLO BGC BGC XYS BGC XYS XYS 5.07246
188 6FE1 V14 5.07246
189 5TPV TYD 5.07246
190 1S4M LUM 5.07246
191 4P42 PEE 5.07246
192 5HES 032 5.07246
193 4QDC ASD 5.07246
194 1R5L VIV 5.07246
195 6EUW BYB 5.07246
196 5KD6 6C7 5.07246
197 5A61 3PO 5.07246
198 1P7L MET 5.07246
199 1KOR SIN 5.07246
200 1KOR ARG 5.07246
201 1KOR ANP 5.07246
202 2C78 PUL 5.07246
203 4IEN GDP 5.07246
204 5ISY NAD 5.07246
205 5CFT 51G 5.07246
206 2E5A LAQ 5.07246
207 4H69 10Y 5.07246
208 4S3F 43W 5.07246
209 1MEX RAC 5.07246
210 1BHX ASP PHE GLU GLU ILE 5.07246
211 5XQW 8EU 5.07246
212 5GM5 CBI 5.07246
213 4WNP 3RJ 5.07246
214 3PP0 03Q 5.07246
215 3F5K CE5 5.07246
216 4POS NAG SIA GAL 5.07246
217 5KWY C3S 5.26316
218 5KEW 6SB 5.31915
219 1N5S ADL 5.35714
220 2HKA C3S 5.38462
221 3KDJ A8S 5.44554
222 5FU3 BGC BGC BGC 5.66038
223 4R38 RBF 5.71429
224 5UR6 8KM 5.7971
225 2WA4 069 5.7971
226 3LVW GSH 5.7971
227 1GP6 SIN 5.7971
228 1GP6 QUE 5.7971
229 1GP6 DH2 5.7971
230 2YJ0 420 5.7971
231 1Q79 3AT 5.7971
232 5IH9 6BF 5.7971
233 4XCB AKG 5.7971
234 1OPK P16 5.7971
235 2ZMF CMP 5.7971
236 3STD MQ0 5.7971
237 5NBW 8SK 5.7971
238 1NYW DAU 5.7971
239 3AXX CBI 5.7971
240 1GQG DCD 5.7971
241 1I82 BGC BGC 5.7971
242 5FP3 3JI 5.7971
243 5XVG 8FX 5.7971
244 5DJU FMN 5.7971
245 5TFZ 7BC 5.7971
246 5KF6 TFB 5.7971
247 5KF6 FAD 5.7971
248 1DY4 SNP 5.7971
249 3W68 VIV 5.7971
250 5DJT FMN 5.7971
251 1VJY 460 5.7971
252 2Z5Y HRM 5.7971
253 5BVB DOG 6.06061
254 4WN5 MVC 6.08696
255 1P0Z FLC 6.10687
256 4IPH 1FJ 6.50407
257 3MF2 AMP 6.52174
258 4H2X G5A 6.52174
259 4H2V AMP 6.52174
260 3THR C2F 6.52174
261 3QRC SCR 6.52174
262 5Y72 DST 6.52174
263 5VC5 96M 6.52174
264 4RPL 3UC 6.52174
265 4RPL FAD 6.52174
266 1VA6 ADP 6.52174
267 1QIN GIP 6.52174
268 4H2W 5GP 6.52174
269 4H2W AMP 6.52174
270 1VA6 P2S 6.52174
271 5N87 N66 6.52174
272 3WDX BGC BGC GLC 6.52174
273 3SHR CMP 6.52174
274 3TYZ PAB 6.52174
275 3TYZ XHP 6.52174
276 2XN2 GLA 6.52174
277 5JSP DQY 6.52174
278 5EH0 5NW 6.52174
279 5OX6 A1Z 6.52174
280 2WSA 646 6.52174
281 2WSA MYA 6.52174
282 3HMO STU 6.52174
283 6GG9 FMN 6.52174
284 1J3R 6PG 6.52174
285 2ZRU FMN 6.52174
286 4HWT 1B2 6.52174
287 2IW3 ADP 6.52174
288 5FLJ QUE 6.52174
289 2FR3 REA 6.56934
290 5JAX 6J7 6.66667
291 3E8N VRA 6.74487
292 3E8N ATP 6.74487
293 5TBM 79A 6.95652
294 1ZB6 DIN 7.24638
295 1ZB6 GST 7.24638
296 2JEQ GAL BGC BGC BGC XYS BGC XYS 7.24638
297 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 7.24638
298 4NV7 COA 7.24638
299 4QCK ASD 7.24638
300 4G31 0WH 7.24638
301 5YU3 PRO 7.24638
302 5YU3 NAD 7.24638
303 2A1L PCW 7.24638
304 2E56 MYR 7.24638
305 4ZU4 4TG 7.24638
306 2Y3S TIR 7.24638
307 1ST0 GTG 7.24638
308 4J7Q B7N 7.24638
309 2IRY DGT 7.24638
310 2F3R G5P 7.24638
311 5XEG AKG 7.24638
312 3GC8 B45 7.24638
313 2BMB PMM 7.24638
314 5DQ8 FLF 7.24638
315 6DO3 PRO PRO PRO MET ALA GLY GLY 7.24638
316 1EWF PC1 7.24638
317 5F2T PLM 7.24638
318 5X8G S0N 7.24638
319 4XYM A12 7.24638
320 1F52 ADP 7.97101
321 4YZC STU 7.97101
322 6MPT C30 7.97101
323 4P25 FUC GAL NAG FUC 7.97101
324 4RFR RHN 7.97101
325 6GR0 F8W 7.97101
326 6EOZ AKG 7.97101
327 6EOZ 58K 7.97101
328 5WL0 21G 7.97101
329 3B1Q NOS 7.97101
330 3PG7 PTY 7.97101
331 4MUV PCG 7.97101
332 4WO4 JLS 7.97101
333 2YAK OSV 7.97101
334 3FW3 ETS 7.97101
335 4H6B 10X 7.97101
336 4GID 0GH 7.97101
337 2NZ2 CIR 7.97101
338 2YNE YNE 7.97101
339 2YNE NHW 7.97101
340 4H6B 10Y 7.97101
341 3G08 FEE 8.08081
342 3SCM LGN 8.08081
343 3RUG DB6 8.08081
344 3QUZ QUV 8.08081
345 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 8.08081
346 5AYT L6Y 8.69565
347 5ZM4 9FU 8.69565
348 5ZM4 AKG 8.69565
349 3ZXR P3S 8.69565
350 3ZXR IQ1 8.69565
351 4ZU5 THM 8.69565
352 2WKQ FMN 8.69565
353 5C3R HMU 8.69565
354 5C3R AKG 8.69565
355 5OES ADP 8.69565
356 4A4X JUP 8.69565
357 5SVV FMN 8.75912
358 4HSJ 6PC 9.42029
359 2XMY CDK 9.42029
360 6D61 4AA 9.42029
361 2YG2 FLC 9.42029
362 2YG2 S1P 9.42029
363 3TTI KBI 9.42029
364 3AMN CBK 9.42029
365 3AMN CBI 9.42029
366 4HK8 XYP XYP XYP XYP XYP XYP 9.42029
367 1I7E IBS 9.42029
368 1CX4 CMP 9.42029
369 4AZW ATP 9.42029
370 5EQY 5RA 9.42029
371 3FW9 SLX 9.42029
372 5W0N UPU 9.42029
373 3UN3 G16 9.42029
374 1Z2P ACP 9.42029
375 1Z2P I3S 9.42029
376 2RFZ CTR 9.42029
377 6FUL E7Z 9.42029
378 5HV0 AKG 9.42029
379 4NMC 2OP 9.42029
380 4NMC FAD 9.42029
381 2BPM 529 9.42029
382 2RG0 CBI 9.42029
383 3HXG GTA 9.42029
384 5MZI FAD 9.42029
385 5MZI FYK 9.42029
386 4WVO 3UZ 10.1449
387 4LA7 A1O 10.1449
388 5ZTN CUR 10.1449
389 3CQD ATP 10.1449
390 1UMZ BGC BGC XYS BGC XYS GAL 10.1449
391 1E6E FAD 10.1449
392 5VNF VAL THR SER VAL VAL 10.1449
393 4NM5 ADP 10.1449
394 3ZRM ZRM 10.1449
395 3KAL ADP 10.1449
396 2BWA GLC BGC 10.1449
397 3WVR AMP 10.1449
398 3H7J PPY 10.8696
399 4PU5 ANP 10.8696
400 4OAV ACP 10.8696
401 3AGC RCC 10.8696
402 2J3M ATP 10.8696
403 2YGO PCF 10.8696
404 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 10.8696
405 1SQI 869 10.8696
406 3CMJ SRT 10.8696
407 5JKG 6LF 10.8696
408 4EES FMN 11.3043
409 5ML3 DL3 11.5942
410 3OJI PYV 11.5942
411 3PTQ NFG 11.5942
412 1M15 ADP 11.5942
413 1M15 ARG 11.5942
414 5C1P ADP 11.5942
415 1ZZ7 S0H 11.5942
416 4L9I 8PR 11.5942
417 2OJW ADP 11.5942
418 2GC0 PAN 11.5942
419 6G9I CXX 11.5942
420 1K97 CIR 11.5942
421 1K97 ASP 11.5942
422 3ZO7 K6H 11.7021
423 1KGI T4A 11.811
424 3PQB VGP 12.3188
425 1NWW HPN 12.3188
426 4HWS 1B3 12.3188
427 1TOI HCI 12.3188
428 4WUP 3UF 12.3188
429 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 13.0435
430 1C4Q GLA GAL BGC 13.0435
431 5U98 1KX 13.0435
432 1E8G FCR 13.0435
433 1E8G FAD 13.0435
434 4NZN ANP 13.0435
435 4NZN 2OU 13.0435
436 5NCF 8T5 13.2743
437 5FKP 6UL 13.6364
438 4YGF AZM 13.7681
439 1MH5 HAL 13.7681
440 3TAY MN0 13.7681
441 1MJJ HAL 13.7681
442 6E08 NAP 14.4928
443 1SDW IYT 14.4928
444 3JU6 ANP 15.2174
445 2CER PGI 15.2174
446 2YFO GLA 15.2174
447 2YFO GAL 15.2174
448 4BG4 ADP 15.942
449 5UC4 83S 15.942
450 2IO8 ADP 15.942
451 2Z6C FMN 16.2791
452 2P7Q GG6 16.5414
453 3VQ2 LP4 LP5 MYR DAO 16.6667
454 1U6R ADP 16.6667
455 5ENQ 5QE 17.3913
456 1F3D TPM 18.1159
457 1YKD CMP 19.5652
458 3OBK PBG 20.2899
459 5DXI TRE 20.2899
460 4RPO T6C 20.2899
461 4MNS 2AX 21.0145
462 4WOE ADP 21.0145
463 4RGA 3PV 25.3623
464 4RF7 ARG 28.9855
465 5LJB RTL 31.1111
466 3VV1 GAL FUC 34.058
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