Receptor
PDB id Resolution Class Description Source Keywords
5NF7 1.59 Å NON-ENZYME: BINDING STRUCTURE OF GALECTIN-3 CRD IN COMPLEX WITH COMPOUND 1 HOMO SAPIENS GALECTIN-3 CRD CATION-PI INTERACTIONS SUGAR BINDING PROTEI
Ref.: BIOPHYSICAL AND STRUCTURAL CHARACTERIZATION OF MONO/DI-ARYLATED LACTOSAMINE DERIVATIVES INTERACTIO HUMAN GALECTIN-3. BIOCHEM. BIOPHYS. RES. V. 489 281 2017 COMMUN.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8VZ A:301;
Valid;
none;
Kd = 37.5 uM
424.4 C16 H28 N2 O11 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5NFB 1.59 Å NON-ENZYME: BINDING STRUCTURE OF GALECTIN-3 CRD IN COMPLEX WITH COMPOUND 4 HOMO SAPIENS GALECTIN-3 CRD CATION-PI INTERACTIONS SUGAR BINDING PROTEI
Ref.: BIOPHYSICAL AND STRUCTURAL CHARACTERIZATION OF MONO/DI-ARYLATED LACTOSAMINE DERIVATIVES INTERACTIO HUMAN GALECTIN-3. BIOCHEM. BIOPHYS. RES. V. 489 281 2017 COMMUN.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 5NFB Kd = 0.77 uM 8VT C30 H40 N2 O13 CC(=O)N[C@....
2 5NF7 Kd = 37.5 uM 8VZ C16 H28 N2 O11 CC(=O)N[C@....
70% Homology Family (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 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 4XBN Kd = 93 uM GAL NAG n/a n/a
34 5H9R Kd = 0.84 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
35 5H9P Kd = 0.068 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
36 5NFB Kd = 0.77 uM 8VT C30 H40 N2 O13 CC(=O)N[C@....
37 5NF7 Kd = 37.5 uM 8VZ C16 H28 N2 O11 CC(=O)N[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: 8VZ; Similar ligands found: 247
No: Ligand ECFP6 Tc MDL keys Tc
1 8VZ 1 1
2 NDG GAL 0.694915 0.918367
3 GAL NDG 0.694915 0.918367
4 NLC 0.694915 0.918367
5 8VW 0.615385 0.924528
6 MAN BMA NAG 0.602941 0.918367
7 GLA GAL NAG 0.602941 0.918367
8 NAG GAL GAL 0.602941 0.918367
9 GAL NAG MAN 0.585714 0.918367
10 MAN NAG GAL 0.585714 0.918367
11 GAL MGC 0.5625 0.92
12 A2G GAL 0.5625 0.918367
13 GAL NGA 0.5625 0.918367
14 GAL A2G 0.5625 0.918367
15 NAG BMA 0.560606 0.830189
16 GAL NAG GAL 0.554054 0.882353
17 NAG NDG BMA 0.546667 0.90566
18 NAG NAG BMA 0.546667 0.90566
19 GAL NAG GAL NAG GAL NAG 0.539474 0.96
20 NAG GAL GAL NAG 0.539474 0.979592
21 NAG GAL GAL NAG GAL 0.539474 0.979592
22 GAL BGC NAG GAL 0.533333 0.918367
23 GLC GAL NAG GAL 0.532468 0.918367
24 G6S NAG 0.513514 0.714286
25 8VQ 0.511628 0.924528
26 LAT GLA 0.508475 0.673469
27 MMA MAN 0.508197 0.68
28 DR5 0.508197 0.68
29 GAL NGA A2G 0.507042 0.96
30 GAL NAG GAL BGC 0.506494 0.918367
31 LAT NAG GAL 0.506494 0.918367
32 BGC GAL NAG GAL 0.506494 0.918367
33 NOK GAL 0.5 0.821429
34 MAL MAL 0.5 0.66
35 BMA BMA 0.5 0.673469
36 FUC NDG GAL 0.5 0.938776
37 MAG FUC GAL 0.5 0.901961
38 GAL GLC 0.5 0.673469
39 BGC BMA 0.5 0.673469
40 FUC NAG GAL 0.5 0.938776
41 BMA GAL 0.5 0.673469
42 GAL BGC 0.5 0.673469
43 LBT 0.5 0.673469
44 GAL NOK 0.5 0.821429
45 CBK 0.5 0.673469
46 BGC GAL 0.5 0.673469
47 MAL 0.5 0.673469
48 LAT 0.5 0.673469
49 CBI 0.5 0.673469
50 BGC GLC 0.5 0.673469
51 GLA GLA 0.5 0.673469
52 NAG FUC 0.5 0.897959
53 GAL NDG FUC 0.5 0.938776
54 MAB 0.5 0.673469
55 GLC BGC 0.5 0.673469
56 B2G 0.5 0.673469
57 GAL NAG FUC 0.5 0.938776
58 GLA GAL 0.5 0.673469
59 N9S 0.5 0.673469
60 GLC GAL 0.5 0.673469
61 NAG BMA MAN MAN MAN MAN 0.493976 0.918367
62 GAL LOG 0.492958 0.810345
63 LOG GAL 0.492958 0.810345
64 CBS 0.492754 0.979592
65 NAG GDL 0.492754 0.979592
66 NAG NDG 0.492754 0.979592
67 CBS CBS 0.492754 0.979592
68 NAG NAG BMA MAN 0.488095 0.90566
69 NGA GAL BGC 0.486486 0.918367
70 GLA EGA 0.484375 0.68
71 GAL NGA GLA BGC GAL 0.481481 0.918367
72 NAG GAL NAG 0.480519 0.979592
73 GAL SER A2G 0.48 0.921569
74 NGA SER GAL 0.48 0.921569
75 A2G SER GAL 0.48 0.921569
76 GAL TNR 0.48 0.921569
77 DR2 0.473684 0.938776
78 FUC GAL NAG 0.473684 0.938776
79 NDG GAL FUC 0.473684 0.938776
80 FUC GAL NDG 0.473684 0.938776
81 NBG 0.473684 0.816327
82 FUL GAL NAG 0.473684 0.938776
83 TRE 0.471698 0.673469
84 GLC GLC GLC GLC GLC GLC GLC GLC 0.46875 0.673469
85 GAL FUC 0.46875 0.673469
86 DXI 0.46875 0.673469
87 U63 0.46875 0.622642
88 BMA BMA BMA BMA BMA BMA 0.46875 0.673469
89 CTR 0.46875 0.673469
90 GLC GLC GLC GLC GLC 0.46875 0.673469
91 BGC BGC BGC BGC BGC BGC 0.46875 0.673469
92 BMA BMA BMA 0.46875 0.673469
93 MLR 0.46875 0.673469
94 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.46875 0.673469
95 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.46875 0.673469
96 CEY 0.46875 0.673469
97 GAL GAL GAL 0.46875 0.673469
98 MT7 0.46875 0.673469
99 CTT 0.46875 0.673469
100 BGC GLC GLC GLC GLC GLC GLC 0.46875 0.673469
101 BMA MAN BMA 0.46875 0.673469
102 GLC BGC BGC BGC BGC BGC 0.46875 0.673469
103 MTT 0.46875 0.673469
104 GLC BGC BGC 0.46875 0.673469
105 CE6 0.46875 0.673469
106 GLC BGC BGC BGC BGC 0.46875 0.673469
107 B4G 0.46875 0.673469
108 MAN BMA BMA 0.46875 0.673469
109 CE5 0.46875 0.673469
110 BGC BGC BGC GLC 0.46875 0.673469
111 CEX 0.46875 0.673469
112 CE8 0.46875 0.673469
113 BMA BMA BMA BMA BMA 0.46875 0.673469
114 GLC GAL GAL 0.46875 0.673469
115 BGC GLC GLC GLC GLC 0.46875 0.673469
116 MAN BMA BMA BMA BMA 0.46875 0.673469
117 BGC GLC GLC GLC 0.46875 0.673469
118 MAN MAN BMA BMA BMA BMA 0.46875 0.673469
119 GLC GLC BGC GLC GLC GLC GLC 0.46875 0.673469
120 GLA GAL GLC 0.46875 0.673469
121 GLC BGC GLC 0.46875 0.673469
122 BGC GLC GLC 0.46875 0.673469
123 CT3 0.46875 0.673469
124 GLC GLC BGC 0.46875 0.673469
125 GLC GLC GLC GLC GLC GLC GLC 0.46875 0.673469
126 NAG NAG NAG NAG NDG NAG 0.465753 0.96
127 NAG NAG NAG NAG NAG 0.465753 0.96
128 NDG NAG NAG NAG 0.465753 0.96
129 NDG NAG NAG 0.465753 0.96
130 NAG NAG NAG NAG NAG NAG 0.465753 0.96
131 NAG NAG NDG 0.465753 0.96
132 NAG NAG NAG NAG 0.465753 0.96
133 NAG NAG NAG NAG NAG NAG NAG NAG 0.465753 0.96
134 NDG NAG NAG NDG NAG 0.465753 0.96
135 NAG NAG NAG NAG NDG 0.465753 0.96
136 NAG NAG NAG NDG 0.465753 0.96
137 CTO 0.465753 0.96
138 NAG NAG NAG 0.465753 0.96
139 NDG NAG NAG NDG 0.465753 0.96
140 A2G MBG 0.464789 0.92
141 MBG A2G 0.464789 0.92
142 CGC 0.462687 0.673469
143 GAL A2G THR 0.461538 0.941176
144 NAG GAL BGC 0.461538 0.918367
145 FUC BGC GAL NAG GAL 0.460674 0.938776
146 MAN MAN NAG MAN NAG 0.460674 0.979592
147 NAG NAG BMA MAN MAN 0.460674 0.979592
148 NAG MAN GAL MAN MAN NAG GAL 0.460674 0.979592
149 GLA MBG 0.459016 0.68
150 NPO A2G GAL 0.45679 0.723077
151 GAL A2G NPO 0.45679 0.723077
152 GAL A2G MBN 0.455696 0.865385
153 MAL EDO 0.454545 0.647059
154 BMA MAN 0.453125 0.627451
155 2F8 0.451613 0.86
156 MAG 0.451613 0.86
157 NGA GLA GAL BGC 0.451219 0.918367
158 GLA GAL BGC 5VQ 0.449275 0.653846
159 NG1 0.446154 0.728814
160 GN1 0.446154 0.728814
161 GLA NAG GAL FUC 0.445783 0.938776
162 GAL NAG GAL FUC 0.445783 0.938776
163 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.445652 0.918367
164 BGC BGC GLC 0.441176 0.673469
165 MAN BMA BMA BMA BMA BMA 0.441176 0.66
166 BMA BMA BMA BMA BMA BMA MAN 0.441176 0.66
167 M13 0.4375 0.68
168 MDM 0.4375 0.68
169 GAL MBG 0.4375 0.68
170 GAL GC2 0.4375 0.69697
171 NBG BGC BGC XYS BGC XYS XYS 0.436782 0.882353
172 2M4 0.435484 0.673469
173 BGC BGC 0.435484 0.673469
174 MAN MAN 0.435484 0.673469
175 GLA GAL BGC 0.434783 0.673469
176 GLA GAL GAL 0.434783 0.673469
177 UNU GAL NAG 0.433735 0.921569
178 NAG MAN GAL BMA NDG MAN NAG GAL 0.431579 0.96
179 NAG MAN MAN MAN NAG GAL NAG GAL 0.431579 0.96
180 MAN BMA NAG NAG MAN NAG GAL GAL 0.431579 0.96
181 NAG MAN GAL BMA NAG MAN NAG GAL 0.431579 0.96
182 DOM 0.430769 0.647059
183 GLA GAL GLC NBU 0.430556 0.62963
184 G2F BGC BGC BGC BGC BGC 0.430556 0.611111
185 FUC BGC GAL 0.430556 0.693878
186 MAN GLC 0.428571 0.673469
187 M3M 0.428571 0.673469
188 LB2 0.428571 0.673469
189 FMO 0.426471 0.611111
190 FUC NAG GLA GAL 0.425287 0.92
191 CG3 A2G GAL 0.423529 0.712121
192 MAN NAG 0.422535 0.918367
193 ABL 0.42029 0.811321
194 GAL NDG FUC FUC 0.419753 0.92
195 FUC GAL NAG FUC 0.419753 0.92
196 BDZ 0.419753 0.92
197 FUC GAL NDG FUC 0.419753 0.92
198 CTO TMX 0.419753 0.813559
199 FUC NDG GAL FUC 0.419753 0.92
200 TCG 0.419753 0.813559
201 FUC GAL MAG FUC 0.419753 0.901961
202 FUC NAG GAL FUC 0.419753 0.92
203 BCW 0.419753 0.92
204 GAL NAG FUC FUC 0.419753 0.92
205 NDG NAG 0.418919 0.96
206 GLC GLC XYP 0.418919 0.673469
207 FUC GAL NAG GAL BGC 0.417582 0.938776
208 NGA GAL 0.416667 0.918367
209 ABD 0.416667 0.897959
210 GAL NAG 0.416667 0.918367
211 NAG GAL 0.416667 0.918367
212 RZM 0.415385 0.672727
213 SCG 0.414634 0.642857
214 DR3 0.4125 0.938776
215 NAG GAL FUC 0.4125 0.938776
216 MAN MAN BMA 0.411765 0.673469
217 MAN MNM 0.411765 0.788462
218 NAG A2G 0.410959 0.979592
219 NAG MBG 0.410959 0.92
220 NAG NGA 0.410959 0.979592
221 BGC BGC BGC BGC BGC BGC BGC BGC 0.410959 0.673469
222 BGC BGC BGC BGC 0.410959 0.673469
223 GLA GAL NAG FUC GAL GLC 0.410526 0.938776
224 3QL 0.410256 0.90566
225 8VT 0.41 0.907407
226 NAG MAN BMA NDG MAN NAG GAL 0.41 0.96
227 DLD 0.409639 0.813559
228 4RS 0.408451 0.648148
229 GLC GLC XYS 0.407895 0.693878
230 NAG NAG 0.407895 0.886792
231 NAG NAG BMA BMA 0.406977 0.872727
232 M5G 0.405941 0.979592
233 NAG NGO 0.405063 0.87037
234 HS2 0.405063 0.846154
235 NOJ NAG NAG NAG 0.404762 0.857143
236 NOJ NAG NAG 0.404762 0.872727
237 BMA BMA MAN 0.402985 0.66
238 6UZ 0.402597 0.6
239 GLO GLC GLC 0.4 0.68
240 GLC GAL NAG GAL FUC FUC 0.4 0.92
241 G3I 0.4 0.703704
242 FUC NAG TA5 0.4 0.701493
243 BGC GAL NAG GAL FUC FUC 0.4 0.92
244 A2G GAL NAG FUC 0.4 0.96
245 GLC GLC GLC GLC GLC GLC 0.4 0.673469
246 G2I 0.4 0.703704
247 OXZ BGC BGC 0.4 0.644068
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5NFB; Ligand: 8VT; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 5nfb.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.00003989 0.40699 None
2 3QRC SCR 0.000003623 0.56291 1.91083
3 5HCF BGC 0.003881 0.41288 2.27273
4 5AIG VPR 0.0002545 0.42057 2.84091
5 1YMT DR9 0.03083 0.41053 2.84091
6 5H2D ERG 0.02468 0.40446 2.84091
7 5HES 032 0.02498 0.41084 3.90879
8 1KGI T4A 0.02143 0.40673 3.93701
9 4YZC STU 0.01091 0.43374 3.97727
10 4CLI 5P8 0.04807 0.41133 3.97727
11 4TWL ASC 0.008335 0.40682 3.97727
12 5X7Q GLC GLC GLC GLC GLC 0.002624 0.4208 4.54545
13 5X7Q GLC GLC GLC GLC 0.002557 0.42063 4.54545
14 5J3Z 6FQ 0.01104 0.40557 4.54545
15 3MTX PGT 0.004982 0.4509 4.63576
16 4QRH 0O2 0.01471 0.41935 5.11364
17 1OJK GLC BGC 0.01019 0.40174 5.11364
18 2I74 MAN MAN MAN MAN 0.001347 0.4232 5.68182
19 3JRS A8S 0.01244 0.41839 5.68182
20 3Q8G PEE 0.004069 0.47148 6.25
21 4ZU5 THM 0.01305 0.40921 6.25
22 12AS AMP 0.04391 0.40075 6.25
23 1UMZ BGC BGC XYS BGC XYS GAL 0.0004642 0.42153 7.38636
24 1URX AAL GAL AAL GLA 0.0119 0.41274 7.38636
25 1M15 ADP 0.004593 0.46219 7.95455
26 1M15 ARG 0.004593 0.46219 7.95455
27 3K4Z CBI 0.0008797 0.46062 7.95455
28 4L4J NAG NAG BMA MAN NAG 0.0003544 0.47466 8.52273
29 2BOS GLA GAL 0.001228 0.42274 8.82353
30 2BOS GLA GAL GLC 0.001469 0.41887 8.82353
31 4D1J DGJ 0.002835 0.41736 9.09091
32 1GQG DCD 0.01583 0.41435 9.09091
33 1QM5 GLC GLC GLC PO4 SGC GLC 0.03209 0.40448 10.2273
34 1QM5 PLP 0.04527 0.40448 10.2273
35 4Q0L V14 0.004914 0.44747 10.7955
36 1U0A BGC BGC BGC BGC 0.0003165 0.40548 10.7955
37 2DIO EOD 0.0131 0.40071 11.3636
38 4IGH ORO 0.001934 0.50007 13.6364
39 4IGH 1EA 0.001934 0.50007 13.6364
40 4IGH FMN 0.001934 0.50007 13.6364
41 5KEW 6SB 0.003387 0.40543 13.8298
42 1I82 BGC BGC 0.002194 0.4129 17.0455
43 5JSP DQY 0.001745 0.41807 18.408
44 3M3E GAL A2G NPO 0.00000001575 0.70442 24.8447
45 1QKQ MAN 0.00000002307 0.70711 33.8028
46 3VV1 GAL FUC 0.00000000004696 0.84026 37.5
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