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Receptor
PDB id Resolution Class Description Source Keywords
2D6O 1.78 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MOUSE GALECTIN-9 N-TERMINAL CRD IN COMP N-ACETYLLACTOSAMINE DIMER MUS MUSCULUS BETA SANDWICH CARBOHYDRATE BINDING PROTEIN GALECTIN SUGARPROTEIN
Ref.: CRYSTAL STRUCTURE OF THE GALECTIN-9 N-TERMINAL CARB RECOGNITION DOMAIN FROM MUS MUSCULUS REVEALS THE BA MECHANISM OF CARBOHYDRATE RECOGNITION J.BIOL.CHEM. V. 281 35884 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL X:301;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG GAL GAL NAG X:158;
Valid;
none;
submit data
748.685 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2D6M 1.6 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MOUSE GALECTIN-9 N-TERMINAL CRD IN COMPLEX WITH LACTOSE MUS MUSCULUS BETA SANDWICH CARBOHYDRATE BINDING PROTEIN GALECTIN SUGARBINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE GALECTIN-9 N-TERMINAL CARBOHYDRATE RECOGNITION DOMAIN FROM MUS MUSCULUS REVEALS THE BASIC MECHANISM OF CARBOHYDRATE RECOGNITION J.BIOL.CHEM. V. 281 35884 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 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
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 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 (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: NAG GAL GAL NAG; Similar ligands found: 251
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAL GAL NAG 1 1
2 GAL NAG GAL NAG GAL NAG 1 0.979592
3 GLA GAL NAG 0.852941 0.9375
4 MAN BMA NAG 0.852941 0.9375
5 GLC GAL NAG GAL 0.824324 0.9375
6 LAT NAG GAL 0.824324 0.9375
7 NAG GAL NAG 0.819444 1
8 NAG GAL GAL NAG GAL 0.810811 1
9 NAG NAG BMA MAN MAN 0.771084 1
10 GAL NAG GAL BGC 0.746835 0.9
11 NDG GAL 0.746269 0.9375
12 GAL NDG 0.746269 0.9375
13 NLC 0.746269 0.9375
14 NAG MAN MAN MAN NAG GAL NAG GAL 0.719101 0.979592
15 MAN BMA NAG NAG MAN NAG GAL GAL 0.719101 0.979592
16 NAG NAG NAG NAG NAG NAG NAG NAG 0.69863 0.979592
17 NDG NAG NAG 0.69863 0.979592
18 NAG NAG NDG NAG 0.69863 0.979592
19 NDG NAG NAG NAG 0.69863 0.979592
20 NAG NAG NAG NDG 0.69863 0.979592
21 NAG NAG NAG NAG NAG 0.69863 0.979592
22 NAG NAG NAG NAG NAG NAG 0.69863 0.979592
23 NDG NAG NAG NDG 0.69863 0.979592
24 NAG NAG NAG NAG NDG 0.69863 0.979592
25 NAG NAG NDG 0.69863 0.979592
26 CTO 0.69863 0.979592
27 NAG NAG BMA MAN 0.690476 0.923077
28 FUC BGC GAL NAG GAL 0.689655 0.958333
29 GAL NAG MAN 0.684211 0.9375
30 NAG MAN BMA NDG MAN NAG GAL 0.680851 0.979592
31 NAG NAG BMA MAN MAN NAG GAL NAG 0.673684 0.979592
32 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.659794 1
33 NGA GLA GAL BGC 0.658537 0.9375
34 NAG GAL BGC 0.658228 0.9375
35 TCG 0.65 0.827586
36 CBS 0.643836 1
37 NAG GDL 0.643836 1
38 CBS CBS 0.643836 1
39 NDG NAG 0.643836 1
40 GAL NAG GAL GLC 0.641975 0.9375
41 BGC GAL NAG GAL 0.641975 0.9375
42 NAG BMA MAN MAN MAN MAN 0.636364 0.9375
43 GAL NGA GLA BGC GAL 0.630952 0.9375
44 GAL NAG GAL 0.62963 0.9
45 NAG BMA NAG MAN MAN NAG NAG 0.621053 0.979592
46 M5G 0.606061 1
47 NAG NAG BMA 0.60241 0.923077
48 NAG NDG BMA 0.60241 0.923077
49 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.595745 0.9375
50 FUC C4W NAG BMA MAN 0.575758 0.923077
51 G6S NAG 0.573171 0.71875
52 GAL BGC NAG GAL 0.571429 0.9375
53 NAG FUC 0.565789 0.916667
54 A2G GAL NAG FUC 0.554348 0.979592
55 FUC GAL NAG A2G 0.554348 0.979592
56 GLA GAL GAL 0.546667 0.6875
57 8VZ 0.539474 0.979592
58 BGC BGC BGC BGC BGC BGC BGC BGC 0.538462 0.6875
59 GAL GLC NAG GAL FUC 0.536842 0.958333
60 GLC NAG GAL GAL FUC 0.536842 0.958333
61 FUC GAL NAG GAL BGC 0.536842 0.958333
62 GAL NAG FUC 0.535714 0.958333
63 DR2 0.535714 0.958333
64 NAG GAL FUC 0.535714 0.958333
65 FUC GAL NDG 0.535714 0.958333
66 FUC GAL NAG 0.535714 0.958333
67 NDG GAL FUC 0.535714 0.958333
68 FUL GAL NAG 0.535714 0.958333
69 NAG MAN BMA MAN NAG GAL 0.535354 1
70 NAG NAG BMA BMA 0.533333 0.888889
71 FUC BGC GAL NAG 0.532609 0.958333
72 GLC GAL NAG GAL FUC FUC 0.530612 0.938776
73 BGC GAL NAG GAL FUC FUC 0.530612 0.938776
74 NGA GAL BGC 0.53012 0.9375
75 GLA GAL NAG FUC GAL GLC 0.525253 0.958333
76 NAG NAG BMA MAN MAN MAN MAN 0.523364 0.923077
77 A2G GAL 0.519481 0.9375
78 GAL A2G 0.519481 0.9375
79 GAL NGA 0.519481 0.9375
80 NAG MBG 0.518987 0.938776
81 A2G GAL NAG FUC GAL GLC 0.514563 0.979592
82 GLC GAL NAG GAL FUC A2G 0.514563 0.979592
83 SIA GAL NAG GAL BGC 0.513043 0.90566
84 SIA GAL NAG GAL GLC 0.513043 0.90566
85 BGC GAL NAG SIA GAL 0.513043 0.90566
86 GAL NAG 0.506329 0.9375
87 NAG GAL 0.506329 0.9375
88 NAG GCU NAG GCD 0.5 0.888889
89 FUC C4W NAG BMA 0.5 0.923077
90 NAG NAG FUL BMA MAN MAN NAG GAL 0.495575 0.90566
91 UNU GAL NAG 0.494505 0.94
92 SN5 SN5 0.493827 0.826923
93 BGC BGC BGC GLC BGC BGC 0.493333 0.6875
94 GLC BGC BGC BGC BGC BGC BGC 0.493333 0.6875
95 GAL NAG GAL FUC 0.48913 0.958333
96 GLA NAG GAL FUC 0.48913 0.958333
97 NAG NAG NAG NAG 0.488636 0.90566
98 NAG NAG NAG 0.488636 0.90566
99 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.484536 1
100 1GN ACY GAL ACY 1GN BGC GAL BGC 0.484536 1
101 GAL NGA A2G 0.482353 1
102 GAL MGC 0.481013 0.938776
103 4U2 0.475728 0.941176
104 GAL NDG FUC 0.471264 0.958333
105 FUC NDG GAL 0.471264 0.958333
106 HS2 0.471264 0.862745
107 NAG SIA GAL 0.466667 0.923077
108 FUC C4W NAG BMA MAN MAN NAG 0.466102 0.923077
109 NAG MAN MMA 0.465909 0.938776
110 NAG NAG BMA MAN MAN NAG NAG 0.463636 0.90566
111 NAG A2G 0.463415 1
112 NAG NGA 0.463415 1
113 NAG BMA 0.463415 0.846154
114 GCS GCS NAG 0.462366 0.901961
115 NAG A2G GAL 0.461538 1
116 MBG A2G 0.457831 0.938776
117 A2G MBG 0.457831 0.938776
118 MAN MAN MAN GLC 0.457831 0.6875
119 GAL NAG SIA GAL 0.45614 0.90566
120 NAG MAN BMA 0.454545 0.9375
121 M13 0.453333 0.693878
122 GAL MBG 0.453333 0.693878
123 MDM 0.453333 0.693878
124 NAG NAG BMA MAN NAG 0.45283 0.90566
125 Z4S NAG NAG 0.451613 0.90566
126 NOJ NAG NAG NAG 0.451613 0.857143
127 NOJ NAG NAG 0.451613 0.872727
128 NAG GAL NGC 0.45045 0.886792
129 LAT 0.445946 0.6875
130 BGC GAL 0.445946 0.6875
131 CBI 0.445946 0.6875
132 GLC GAL 0.445946 0.6875
133 LBT 0.445946 0.6875
134 BMA GAL 0.445946 0.6875
135 MAB 0.445946 0.6875
136 GLA GLA 0.445946 0.6875
137 GAL BGC 0.445946 0.6875
138 BGC BMA 0.445946 0.6875
139 MAL 0.445946 0.6875
140 N9S 0.445946 0.6875
141 B2G 0.445946 0.6875
142 CBK 0.445946 0.6875
143 GLA GAL 0.445946 0.6875
144 A2G GAL BGC FUC 0.444444 0.958333
145 NAG GAL SIA 0.444444 0.90566
146 4U1 0.444444 0.923077
147 BMA MAN BMA 0.441558 0.6875
148 MAN MAN BMA BMA BMA BMA 0.441558 0.6875
149 CE6 0.441558 0.6875
150 MTT 0.441558 0.6875
151 GLC BGC BGC BGC 0.441558 0.6875
152 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.441558 0.6875
153 BGC BGC BGC GLC 0.441558 0.6875
154 CTR 0.441558 0.6875
155 GLA GAL BGC 0.441558 0.6875
156 BMA BMA BMA 0.441558 0.6875
157 BGC GLC GLC 0.441558 0.6875
158 GLC GLC GLC GLC GLC 0.441558 0.6875
159 GLC BGC BGC BGC BGC 0.441558 0.6875
160 BGC GLC GLC GLC GLC GLC GLC 0.441558 0.6875
161 CEX 0.441558 0.6875
162 GLC GAL GAL 0.441558 0.6875
163 MAN BMA BMA 0.441558 0.6875
164 MLR 0.441558 0.6875
165 CE5 0.441558 0.6875
166 MAN BMA BMA BMA BMA 0.441558 0.6875
167 BGC BGC BGC BGC BGC 0.441558 0.6875
168 BMA BMA BMA BMA BMA 0.441558 0.6875
169 MT7 0.441558 0.6875
170 GLC BGC BGC BGC BGC BGC 0.441558 0.6875
171 U63 0.441558 0.634615
172 DXI 0.441558 0.6875
173 MAN BMA BMA BMA BMA BMA 0.441558 0.6875
174 BGC BGC BGC BGC BGC BGC 0.441558 0.6875
175 GLC BGC BGC 0.441558 0.6875
176 BGC BGC BGC 0.441558 0.6875
177 BGC BGC GLC 0.441558 0.6875
178 BGC GLC GLC GLC 0.441558 0.6875
179 GLA GAL GLC 0.441558 0.6875
180 BGC GLC GLC GLC GLC 0.441558 0.6875
181 GAL GAL GAL 0.441558 0.6875
182 CE8 0.441558 0.6875
183 GLC GLC BGC 0.441558 0.6875
184 BGC BGC BGC BGC 0.441558 0.6875
185 B4G 0.441558 0.6875
186 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.441558 0.6875
187 GLC BGC GLC 0.441558 0.6875
188 CEY 0.441558 0.6875
189 BMA BMA BMA BMA BMA BMA 0.441558 0.6875
190 CTT 0.441558 0.6875
191 CT3 0.441558 0.6875
192 KPM 0.438776 0.903846
193 NAG NAG NGT 0.4375 0.813559
194 BEK GAL NAG 0.435644 0.842105
195 FUC GAL A2G 0.428571 0.958333
196 A2G GAL FUC 0.428571 0.958333
197 FUC GLA A2G 0.428571 0.958333
198 NGA GAL FUC 0.428571 0.958333
199 A2G GLA FUC 0.428571 0.958333
200 LB2 0.426667 0.6875
201 M3M 0.426667 0.6875
202 MAN GLC 0.426667 0.6875
203 NGR 0.426667 0.6875
204 DLD 0.425532 0.827586
205 FUC C4W NAG BMA MAN MAN NAG NAG 0.425 0.923077
206 FUC GAL NAG GAL FUC 0.424242 0.938776
207 NAG AMU NAG AMV 0.424242 0.941176
208 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.422018 0.865385
209 NAG GAL FUC FUC A2G 0.421569 0.979592
210 FUC GAL NAG A2G FUC 0.421569 0.979592
211 ASN NAG NAG BMA MAN MAN NAG NAG 0.420168 0.872727
212 GAL A2G MBN 0.419355 0.9
213 NGA GAL 0.418605 0.88
214 GLC GLC XYP 0.418605 0.6875
215 GLA EGA 0.417722 0.693878
216 ASG 0.417722 0.65625
217 A2G SER GAL 0.417582 0.903846
218 GAL TNR 0.417582 0.903846
219 NGA SER GAL 0.417582 0.903846
220 GAL SER A2G 0.417582 0.903846
221 8VW 0.415842 0.90566
222 MMA MAN 0.415584 0.693878
223 DR5 0.415584 0.693878
224 NAG AMU 0.414894 0.96
225 NAG MUB 0.414894 0.96
226 GAL LOG 0.413793 0.793103
227 LAT GLA 0.413333 0.6875
228 AO3 0.411765 0.738462
229 NAA NAA AMI 0.411765 0.738462
230 UMG 0.409524 0.857143
231 NAG NAG 0.409091 0.903846
232 NAG NDG 0.409091 0.903846
233 GAL A2G THR 0.408602 0.941176
234 6Y2 0.408163 0.75
235 MAG FUC GAL 0.406593 0.92
236 BGC FUC GAL FUC A2G 0.405941 0.938776
237 NAG BDP NAG BDP NAG BDP NAG 0.405941 0.96
238 GLC FUC GAL FUC A2G 0.405941 0.938776
239 FUC GAL NAG FUC 0.404255 0.938776
240 FUC NDG GAL FUC 0.404255 0.938776
241 FUC GAL NDG FUC 0.404255 0.938776
242 GAL NDG FUC FUC 0.404255 0.938776
243 GAL NAG FUC FUC 0.404255 0.938776
244 NAG MAN MAN 0.404255 0.9375
245 BCW 0.404255 0.938776
246 BDZ 0.404255 0.938776
247 FUC NAG GAL FUC 0.404255 0.938776
248 NAG MAN MAN MAN NAG 0.40404 1
249 WZ5 0.403846 0.938776
250 NDG BDP BDP NPO NDG 0.401786 0.75
251 FUC C4W NAG BMA MAN NAG 0.401709 0.923077
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2D6M; Ligand: LBT; Similar sites found with APoc: 475
This union binding pocket(no: 1) in the query (biounit: 2d6m.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5UR6 8KM None
2 3MTX PGT None
3 1P0Z FLC None
4 5EW9 5VC None
5 3E85 BSU None
6 1MH5 HAL None
7 1NWW HPN None
8 4MNS 2AX None
9 5FQK 6NT None
10 4K55 H6P None
11 3DJV C3P None
12 3ZO7 K6H None
13 1Y7P RIP None
14 2J7T 274 None
15 4QRH 0O2 None
16 3D72 FAD None
17 2F3R G5P None
18 3IS2 FAD None
19 5IH1 6BQ None
20 5IH1 GDP None
21 5EZU MYR None
22 2CM4 RCL None
23 3PNA CMP None
24 5GP0 GPP None
25 4ZSI GLP None
26 2BOS GLA GAL None
27 2UX9 FMN None
28 4MLO PAM None
29 3BXO UPP None
30 4ZSI 4R1 None
31 1KZN CBN None
32 5VL2 9EG None
33 5UC4 83S None
34 5A67 3PO None
35 2BOS GLA GAL GLC None
36 3MEH THP None
37 2ART LPA AMP None
38 4HIA FMN 1.25786
39 4GID 0GH 1.25786
40 5XQW 8EU 1.25786
41 3T64 DU3 1.25786
42 5EH0 5NW 1.25786
43 3ETH ATP 1.25786
44 3BJK CIT 1.30719
45 6GNO XDI 1.48148
46 5FPX GLY SER SER HIS HIS HIS HIS HIS 1.76991
47 5N87 N66 1.88679
48 6MPT C30 1.88679
49 4YGF AZM 1.88679
50 2VFT SOR 1.88679
51 6EOZ AKG 1.88679
52 6EOZ 58K 1.88679
53 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 1.88679
54 4YZC STU 1.88679
55 5W10 CMP 1.88679
56 6GG9 FMN 1.88679
57 4DXD 9PC 1.88679
58 5IXH OTP 1.88679
59 3M3R BCD 1.88679
60 1MJJ HAL 1.88679
61 6FA4 D1W 1.88679
62 3EKK GS2 1.88679
63 1X7D ORN 1.88679
64 4RYV ZEA 1.93548
65 3FW4 CAQ 2.24719
66 1TT8 PHB 2.51572
67 1U0A BGC BGC BGC BGC 2.51572
68 6D61 4AA 2.51572
69 5JSP DQY 2.51572
70 4L4J NAG NAG BMA MAN NAG 2.51572
71 5H5A 6OU 2.51572
72 3AMN CBK 2.51572
73 3AMN CBI 2.51572
74 4IAW LIZ 2.51572
75 5EO8 TFU 2.51572
76 3ACL 3F1 2.51572
77 3FW9 SLX 2.51572
78 1AJ0 PH2 2.51572
79 1AJ0 SAN 2.51572
80 4D06 NAR 2.51572
81 2IPI AKY 2.51572
82 1NYW DAU 2.51572
83 4RF7 ARG 2.51572
84 3K4Z CBI 2.51572
85 4MOB ADP 2.51572
86 1NE6 SP1 2.51572
87 3CQD ATP 2.51572
88 4NBW NAD 2.51572
89 1MEX RAC 2.51572
90 4K3H 1OM 2.54237
91 4WN5 MVC 2.6087
92 5KJZ PCG 2.66667
93 5DKK FMN 2.75862
94 6E08 NAP 3.14465
95 4H2X G5A 3.14465
96 4H2V AMP 3.14465
97 3MF2 AMP 3.14465
98 3N0Y APC 3.14465
99 3AKK ADP 3.14465
100 4H2W 5GP 3.14465
101 4H2W AMP 3.14465
102 4XV1 904 3.14465
103 2YG2 S1P 3.14465
104 3SCH TB6 3.14465
105 1KOR SIN 3.14465
106 1KOR ANP 3.14465
107 1KOR ARG 3.14465
108 3TYZ XHP 3.14465
109 5NBW 8SK 3.14465
110 2OBD 2OB 3.14465
111 2JIG PD2 3.14465
112 1SDW IYT 3.14465
113 2AGC DAO 3.14465
114 3TYZ PAB 3.14465
115 5J75 6GQ 3.14465
116 5OKL PAM 3.14465
117 4CQE CQE 3.14465
118 3QT6 2P0 3.14465
119 5FLJ QUE 3.14465
120 1DMY AZM 3.14465
121 5X8G S0N 3.14465
122 4N9I PCG 3.14465
123 2R5V HHH 3.14465
124 3KCC CMP 3.14465
125 2HRL SIA GAL SIA BGC NGA CEQ 3.14961
126 1DZK PRZ 3.18471
127 5LXT GTP 3.4965
128 5LXT ACP 3.4965
129 5NCF 8T5 3.53982
130 4JH6 FCN 3.62319
131 2YIP YIO 3.62319
132 1GP6 QUE 3.77358
133 5YBN AKG 3.77358
134 4J36 FAD 3.77358
135 3PQB VGP 3.77358
136 3H7J PPY 3.77358
137 4WW8 VD9 3.77358
138 3E8N ATP 3.77358
139 3E8N VRA 3.77358
140 1VA6 P2S 3.77358
141 1VA6 ADP 3.77358
142 1GP6 SIN 3.77358
143 1GP6 DH2 3.77358
144 4J36 1HR 3.77358
145 4WHZ 3NL 3.77358
146 4BG4 ADP 3.77358
147 5NKB 8ZT 3.77358
148 1Z03 OCH 3.77358
149 4IGQ THR M3L GLN 3.77358
150 3LVW GSH 3.77358
151 3TTI KBI 3.77358
152 3OJI PYV 3.77358
153 4E93 GUI 3.77358
154 5IXG OTP 3.77358
155 1EWF PC1 3.77358
156 5DX9 T6P 3.77358
157 4A4X JUP 3.77358
158 3AJH BL3 3.77358
159 3NX2 FER 3.77358
160 3ZRM ZRM 3.77358
161 3SHR CMP 3.77358
162 1TIW TFB 3.77358
163 1TIW FAD 3.77358
164 3WVR AMP 3.77358
165 2BMB PMM 3.77358
166 5CJF 520 3.77358
167 5OCQ 9RN G4S 9RN G4S 3.77358
168 5EQU 5R6 3.77358
169 5DS8 GLY 5CT GLY ALA 3.77358
170 5ANU 58T 3.79747
171 1OGX EQU 3.81679
172 1E6E FAD 3.90625
173 2FXD DR7 4.0404
174 5N2D 8J8 4.16667
175 4OCT AKG 4.40252
176 4OPC PGT 4.40252
177 4P42 PEE 4.40252
178 3H5N ATP 4.40252
179 5DEY 59T 4.40252
180 5MZI FAD 4.40252
181 5MZI FYK 4.40252
182 3STD MQ0 4.40252
183 4OPC FDA 4.40252
184 1VRP ADP 4.40252
185 1UU6 BGC BGC BGC BGC 4.40252
186 5VC5 96M 4.40252
187 4U0W 16G 4.40252
188 4P7X YCP 4.40252
189 4P7X AKG 4.40252
190 3BZ3 YAM 4.40252
191 3MPB FRU 4.40252
192 4XCB HY0 4.40252
193 2WKQ FMN 4.40252
194 2Y3S TIR 4.40252
195 4NZN ANP 4.40252
196 4NZN 2OU 4.40252
197 2CET PGI 4.40252
198 1S4M LUM 4.40252
199 4NVP 7CH 4.40252
200 4D1J DGJ 4.40252
201 2RG0 CBI 4.40252
202 4XIZ LPP 4.40252
203 1R5L VIV 4.40252
204 5W0N UPU 4.40252
205 4GYI ADP 4.40252
206 2RG0 CTT 4.40252
207 5MJA 7O3 4.40252
208 1QZY TDE 4.40252
209 3M2W L8I 4.40252
210 3DAK ANP 4.40252
211 2RFZ CTR 4.40252
212 5HA0 LTD 4.48718
213 2P7Q GG6 4.51128
214 5NIU 8YZ 4.6875
215 5DJU FMN 4.82759
216 5N2F 8HW 4.83871
217 5OO5 UUA 4.83871
218 2IUW AKG 5.03145
219 4MP8 MLI 5.03145
220 4MP8 NAD 5.03145
221 5FXD H7Y 5.03145
222 1QY1 PRZ 5.03145
223 3W8X FTK 5.03145
224 3W8X FAD 5.03145
225 3ZXR P3S 5.03145
226 3ZXR IQ1 5.03145
227 2A1L PCW 5.03145
228 2J3M PRI 5.03145
229 3ZMR GLO BGC BGC XYS BGC XYS XYS 5.03145
230 2J3M ATP 5.03145
231 5C3R AKG 5.03145
232 5C3R HMU 5.03145
233 2ZMF CMP 5.03145
234 1GT4 UNA 5.03145
235 6EWZ APC 5.03145
236 3JU6 ANP 5.03145
237 5DQ8 FLF 5.03145
238 5C1P ADP 5.03145
239 5IH9 6BF 5.03145
240 1ERB ETR 5.03145
241 5VNF VAL THR SER VAL VAL 5.03145
242 5KD6 6C7 5.03145
243 2ET1 GLV 5.03145
244 3W68 VIV 5.03145
245 1OPK P16 5.03145
246 3FW3 ETS 5.03145
247 1TOI HCI 5.03145
248 5GXU FAD 5.03145
249 5KD6 LBU 5.03145
250 2WSA 646 5.03145
251 2WSA MYA 5.03145
252 5XEG AKG 5.03145
253 6CDG PRO GLY LEU TRP LYS SER 5.03145
254 5GM9 CBK 5.03145
255 5E2N V14 5.03145
256 4COQ SAN 5.03145
257 3UXL CFI 5.03145
258 4QA8 PJZ 5.03145
259 1VJY 460 5.03145
260 3GL0 HXX 5.03145
261 1ELI PYC 5.03145
262 2FR3 REA 5.10949
263 3A6T 8OG 5.42636
264 5KEW 6SB 5.55556
265 1EWJ BLM 5.55556
266 1OGZ EQU 5.6
267 4BVA T3 5.66038
268 3DLG GWE 5.66038
269 2JEQ GAL BGC BGC BGC XYS BGC XYS 5.66038
270 1EM6 CP4 5.66038
271 3E8T UQ8 5.66038
272 2GC0 PAN 5.66038
273 5F2T PLM 5.66038
274 3T1A 5MA 5.66038
275 4IMO PWZ 5.66038
276 5YU3 NAD 5.66038
277 5YU3 PRO 5.66038
278 5M77 7K2 7K3 5.66038
279 1KQN NAD 5.66038
280 1DY4 SNP 5.66038
281 3PG7 PTY 5.66038
282 3GD9 GLC BGC BGC BGC 5.66038
283 2OJW ADP 5.66038
284 6BXI ANP 5.66038
285 4G7A AZM 5.66038
286 4R38 RBF 5.71429
287 1KQW RTL 5.97015
288 5BU3 4W9 5.97826
289 2E56 MYR 6.25
290 4WVO 3UZ 6.28931
291 4LA7 A1O 6.28931
292 3OGV PTQ 6.28931
293 2GJ5 VD3 6.28931
294 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 6.28931
295 4KYS VIB 6.28931
296 1F3D TPM 6.28931
297 3E2M E2M 6.28931
298 3OZ2 OZ2 6.28931
299 2ZRU FMN 6.28931
300 4J7Q B7N 6.28931
301 4NMC FAD 6.28931
302 4NMC 2OP 6.28931
303 1EX7 5GP 6.28931
304 5HXI FAD 6.28931
305 5HXI 5HN 6.28931
306 3UG4 AHR 6.28931
307 5CKW ANP 6.28931
308 6G9I CXX 6.28931
309 5HCF BGC 6.28931
310 6FMQ ACE DYW GLU THR GLY GLU LEU 6.28931
311 1NX4 AKG 6.28931
312 4XYM A12 6.28931
313 1OPB RET 6.71642
314 5B09 4MX 6.73077
315 4ZU4 4TG 6.75676
316 4QCK ASD 6.91824
317 5ZTN CUR 6.91824
318 6EHH 2GE 6.91824
319 2NZ2 CIR 6.91824
320 3ENG CBI 6.91824
321 4ZLU ADP 6.91824
322 4ZLU 4PW 6.91824
323 4NW6 2NS 6.91824
324 5KF6 FAD 6.91824
325 5KF6 TFB 6.91824
326 4YHO 4CC 6.91824
327 4X5S AZM 6.91824
328 4UXL 5P8 6.91824
329 3QRC SCR 7.00637
330 4MUV PCG 7.04225
331 4D5B ACX 7.54717
332 5FU3 BGC BGC BGC 7.54717
333 1PZO CBT 7.54717
334 4WOE ADP 7.54717
335 3VSV XYP 7.54717
336 5U6C 7YS 7.54717
337 4OAV ACP 7.54717
338 4I54 1C1 7.54717
339 1QCA FUA 7.54717
340 3AGC RCC 7.54717
341 5N0F 7K2 7.54717
342 2HKA C3S 7.69231
343 2HFN FMN 7.84314
344 5TFZ 7BC 8
345 2WA4 069 8.1761
346 3VQ2 LP4 LP5 MYR DAO 8.1761
347 2Q0D ATP 8.1761
348 1ZM1 BGC BGC BGC 8.1761
349 1GQG DCD 8.1761
350 1M15 ARG 8.1761
351 1M15 ADP 8.1761
352 4NG2 OHN 8.1761
353 6D6L FY4 8.1761
354 1PX8 XYP 8.1761
355 5W4W 9WG 8.1761
356 2XN2 GLA 8.1761
357 1QD1 FON 8.1761
358 4OFG PCG 8.33333
359 5TPV TYD 8.49673
360 4TW7 37K 8.59375
361 1KGI T4A 8.66142
362 5SVV FMN 8.75912
363 5EPQ OLA 8.80503
364 3RGA LSB 8.80503
365 4PU5 ANP 8.80503
366 4U03 TLL 8.80503
367 4U03 GTP 8.80503
368 3TAY MN0 8.80503
369 3HAZ FAD 8.80503
370 3AXX CBI 8.80503
371 5VAD 91Y 8.80503
372 5VAD PRO 8.80503
373 4BVM PLM 9.02256
374 4BVM VCA 9.02256
375 1ODM ASV 9.43396
376 4NV7 COA 9.43396
377 4BJZ P3A 9.43396
378 4BJZ FAD 9.43396
379 5DXI TRE 9.43396
380 5HES 032 9.43396
381 5H2D ERG 9.43396
382 5HZX 2GE 9.43396
383 5H9Y BGC BGC BGC BGC 9.43396
384 1ZAP A70 9.43396
385 1I82 BGC BGC 10.0629
386 2I74 MAN MAN MAN MAN 10.0629
387 1U6R ADP 10.0629
388 1UUO ORO 10.0629
389 1UUO BRF 10.0629
390 1UUO FMN 10.0629
391 4H6Q TFB 10.0629
392 4POS NAG SIA GAL 10.0629
393 4ZU5 THM 10.4167
394 4EES FMN 10.4348
395 3PFG TLO 10.6918
396 3PFG SAM 10.6918
397 1QIN GIP 10.6918
398 2BWA GLC BGC 10.6918
399 3HDY GDU 10.6918
400 3HDY FAD 10.6918
401 6FE1 V14 10.6918
402 1ZNY GDP 10.6918
403 2IO8 ADP 10.6918
404 5KWY C3S 10.6918
405 3T50 FMN 10.9375
406 5Y72 DST 11.3208
407 5AYT L6Y 11.3208
408 3FC2 IBI 11.3208
409 5TA6 79D 11.3208
410 1YKD CMP 11.3208
411 4RFR RHN 11.3208
412 3RJY GLC 11.3208
413 2ZYI STE 11.3208
414 4L9I 8PR 11.3208
415 1C4Q GLA GAL BGC 11.5942
416 1UMZ BGC BGC XYS BGC XYS GAL 11.8705
417 4NPL AKG 11.9497
418 1UNB PN1 11.9497
419 1UNB AKG 11.9497
420 6CC0 EWM 11.9497
421 5A61 3PO 11.9497
422 3HMO STU 11.9497
423 2V58 LZJ 11.9497
424 3UN3 G16 12.5786
425 4IEN GDP 12.5786
426 4BXF AKG 12.5786
427 5ML3 DL3 12.7517
428 1ST0 GTG 13.2075
429 1Q79 3AT 13.2075
430 4IPH 1FJ 13.8211
431 1KJ8 GAR 13.8365
432 1KJ8 ATP 13.8365
433 3PUR 2HG 13.8365
434 2XXP DSL 14.4654
435 5ENQ 5QE 14.4654
436 3KFF ZBT 14.4654
437 3KFF XBT 14.4654
438 4J7H TRH 14.4654
439 5A89 FMN 14.7436
440 3VMG 9CA 14.7826
441 5LJB RTL 14.8148
442 3EEB IHP 15.0943
443 4RD0 GDP 15.7233
444 2FCU AKG 15.7233
445 4X6F 3XU 16.1905
446 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 16.3265
447 2Z77 HE7 16.5468
448 4M1U A2G MBG 16.9811
449 1CX4 CMP 16.9811
450 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 17
451 4WO4 JLS 17
452 5A65 TPP 18.239
453 5BVE 4VG 18.239
454 1N5S ADL 18.75
455 2AG4 LP3 18.8679
456 2AG4 OLA 18.8679
457 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 19
458 3FON VAL ASN ASP ILE PHE GLU ALA ILE 20
459 3M3E GAL A2G NPO 20.1258
460 3ILR SGN IXD 20.1258
461 3ILR SGN 20.1258
462 3ILR IXD 20.1258
463 5FKP 6UL 20.202
464 3G08 FEE 20.202
465 3QUZ QUV 20.202
466 3RUG DB6 20.202
467 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 20.202
468 1ZB6 GST 22.6415
469 1ZB6 DIN 22.6415
470 4HWT 1B2 22.6415
471 5U98 1KX 23.2704
472 5TBM 79A 23.9316
473 4NM5 ADP 29.1667
474 4J6W CTP 32.9268
475 3VV1 GAL FUC 39.6226
Pocket No.: 2; Query (leader) PDB : 2D6M; Ligand: LBT; Similar sites found with APoc: 10
This union binding pocket(no: 2) in the query (biounit: 2d6m.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3JQ3 ADP 1.88679
2 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 2.51572
3 2JLD AG1 3.77358
4 4M0R 644 3.77358
5 1URX AAL GAL AAL GLA 5.03145
6 4WUP 3UF 5.03145
7 3KDJ A8S 5.66038
8 2C78 PUL 6.28931
9 1LFO OLA 7.03125
10 3TCT 3MI 11.811
Pocket No.: 3; Query (leader) PDB : 2D6M; Ligand: LBT; Similar sites found with APoc: 76
This union binding pocket(no: 3) in the query (biounit: 2d6m.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4B7P 9UN None
2 2YJ0 420 None
3 5OCG 9R5 1.25786
4 3EXS 5RP 1.25786
5 4GCZ FMN 1.88679
6 3H22 B53 1.88679
7 5XVG 8FX 1.88679
8 4CW5 FMN 1.88679
9 3EEL 53T 2.51572
10 2YFO GAL 2.51572
11 2YFO GLA 2.51572
12 2Z6C FMN 3.10078
13 3WDX BGC BGC GLC 3.14465
14 2YG2 FLC 3.14465
15 4QMN DB8 3.14465
16 3G5D 1N1 3.14465
17 5FI4 5XV 3.14465
18 1JGL EST 3.14465
19 5X7Q GLC GLC GLC GLC 3.14465
20 3PP0 03Q 3.14465
21 6GR0 F8W 3.77358
22 2XMY CDK 3.77358
23 3F7Z 34O 3.77358
24 4P25 FUC GAL NAG FUC 3.77358
25 2RDQ AKG 3.77358
26 2PFC PLM 3.77358
27 5M42 FMN 3.77358
28 2TPS TPS 4.40252
29 2CER PGI 4.40252
30 4UWJ MYA 4.40252
31 4UWJ 7L5 4.40252
32 3EWC MCF 4.40252
33 1SQI 869 4.40252
34 2IRY DGT 4.40252
35 4WNP 3RJ 4.87805
36 3THR C2F 5.03145
37 5WL0 21G 5.03145
38 1CZA G6P 5.03145
39 5AE9 OKO 5.03145
40 1J3R 6PG 5.66038
41 4ORM FMN 5.66038
42 4ORM 2V6 5.66038
43 4ORM ORO 5.66038
44 3B00 16A 5.66038
45 4Q0P 0MK 5.66038
46 4HK8 XYP XYP XYP XYP XYP XYP 6.28931
47 1EOM NAG MAN MAN MAN NAG GAL NAG GAL 6.28931
48 2GQS C2R 6.28931
49 4G2R H1L 6.34249
50 4HWS 1B3 6.91824
51 5DRB 5FJ 6.91824
52 3HY8 PLP 6.91824
53 4YHG CT3 6.91824
54 4WW7 AMP 6.91824
55 5LUN OGA 6.91824
56 6FUL E7Z 6.91824
57 5D2R 56W 7.54717
58 4IGH 1EA 8.80503
59 4IGH FMN 8.80503
60 4IGH ORO 8.80503
61 5ZM4 9FU 8.80503
62 5ZM4 AKG 8.80503
63 3PTQ NFG 8.80503
64 3GF4 UPG 8.80503
65 3ZQ9 NOY BGC 9.43396
66 5I0U DCY 9.43396
67 4CYI ATP 9.43396
68 2Q7D ANP 10.6918
69 4MZU TYD 10.6918
70 4F7E 0SH 11.3208
71 4PNI KQQ 11.3208
72 3UH0 TSB 11.9497
73 4CLI 5P8 13.2075
74 5A89 ADP 14.7436
75 3SCM LGN 20.202
76 2XK9 XK9 22.0126
Pocket No.: 4; Query (leader) PDB : 2D6M; Ligand: LBT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2d6m.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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