Receptor
PDB id Resolution Class Description Source Keywords
1KJL 1.4 Å NON-ENZYME: BINDING HIGH RESOLUTION X-RAY STRUCTURE OF HUMAN GALECTIN-3 IN COMPL LACNAC HOMO SAPIENS LACNAC COMPLEX SUGAR BINDING PROTEIN
Ref.: STRUCTURAL AND THERMODYNAMIC STUDIES ON CATION-PI INTERACTIONS IN LECTIN-LIGAND COMPLEXES: HIGH-AFFIN GALECTIN-3 INHIBITORS THROUGH FINE-TUNING OF AN ARGININE-ARENE INTERACTION. J.AM.CHEM.SOC. V. 127 1737 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BR A:301;
A:302;
Invalid;
Invalid;
none;
none;
submit data
79.904 Br [Br-]
CL A:300;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GAL NAG A:501;
Valid;
none;
Kd = 67 uM
383.35 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E89 1.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN GALECTIN-3 CRD IN COMPLEX WITH 3- FLUOPHENYL-1,2,3-TRIAZOLYL THIODIGALACTOSIDE INHIBITOR HOMO SAPIENS CARBOHYDRATE-RECOGNITION BETA SANDWICH CARBOHYDRATE BINDINPROTEIN SUGAR BINDING PROTEIN INHIBITOR SUGAR BINDING PRINHIBITOR COMPLEX
Ref.: GALECTIN-3-BINDING GLYCOMIMETICS THAT STRONGLY REDU BLEOMYCIN-INDUCED LUNG FIBROSIS AND MODULATE INTRAC GLYCAN RECOGNITION. CHEMBIOCHEM V. 17 1759 2016
Members (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 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
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: GAL NAG; Similar ligands found: 173
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NAG 1 1
2 NGA GAL 1 1
3 NAG GAL 1 1
4 NAG NGA 0.693548 0.9375
5 NAG MBG 0.693548 0.957447
6 NAG A2G 0.693548 0.9375
7 MAN NAG 0.66129 1
8 NAG GAL BGC 0.657143 1
9 NAG GAL GAL NAG GAL 0.652778 0.9375
10 CBS 0.640625 0.9375
11 CBS CBS 0.640625 0.9375
12 NAG NDG 0.640625 0.9375
13 NAG GDL 0.640625 0.9375
14 NGA GLA GAL BGC 0.635135 1
15 NAG GAL NAG 0.633803 0.9375
16 NAG MAN MAN MAN NAG 0.631579 0.9375
17 NGA GAL BGC 0.623188 1
18 FUC BGC GAL NAG 0.615385 0.978261
19 MBG A2G 0.606061 0.957447
20 A2G MBG 0.606061 0.957447
21 NAG NAG NAG NAG 0.602941 0.918367
22 NAG NAG NDG 0.602941 0.918367
23 NAG NAG 0.602941 0.846154
24 NAG NAG NAG NAG NDG NAG 0.602941 0.918367
25 NAG NAG NAG NAG NAG NAG 0.602941 0.918367
26 NAG NAG NAG NAG NDG 0.602941 0.918367
27 NDG NAG NAG NAG 0.602941 0.918367
28 NDG NAG NAG NDG NAG 0.602941 0.918367
29 NAG NAG NAG NDG 0.602941 0.918367
30 NAG NAG NAG NAG NAG NAG NAG NAG 0.602941 0.918367
31 NDG NAG NAG 0.602941 0.918367
32 NDG NAG NAG NDG 0.602941 0.918367
33 CTO 0.602941 0.918367
34 NAG NAG NAG NAG NAG 0.602941 0.918367
35 NAG NAG NAG 0.602941 0.918367
36 FUC GLA A2G 0.597222 0.978261
37 A2G GLA FUC 0.597222 0.978261
38 FUC GAL A2G 0.597222 0.978261
39 A2G GAL FUC 0.597222 0.978261
40 NGA GAL FUC 0.597222 0.978261
41 FUC GL0 A2G 0.597222 0.978261
42 NDG NAG 0.597015 0.918367
43 NAG MAN MMA 0.583333 0.957447
44 3QL 0.577465 0.865385
45 MAN MAN NAG 0.567568 0.957447
46 GAL NAG GAL FUC 0.564103 0.978261
47 GLA NAG GAL FUC 0.564103 0.978261
48 NAG MAN BMA 0.56 1
49 NAG MAN MAN 0.56 1
50 LB2 0.559322 0.733333
51 MAG 0.559322 0.893617
52 2F8 0.559322 0.893617
53 M3M 0.559322 0.733333
54 MAN GLC 0.559322 0.733333
55 BGC FUC GAL FUC A2G 0.548781 0.957447
56 GLC FUC GAL FUC A2G 0.548781 0.957447
57 FUC GAL NAG GAL FUC 0.536585 0.957447
58 AH0 NAG 0.532468 0.833333
59 NAG AMU 0.532468 0.9
60 NAG MUB 0.532468 0.9
61 NAG NGO 0.527027 0.865385
62 GN1 0.52381 0.75
63 NG1 0.52381 0.75
64 GLC GAL NAG GAL 0.518987 1
65 BGC BGC BGC GLC BGC BGC 0.515625 0.733333
66 BGC BGC BGC ASO BGC BGC ASO 0.515625 0.733333
67 BGC BGC BGC 0.515625 0.733333
68 GLC BGC BGC BGC BGC BGC BGC 0.515625 0.733333
69 BGC BGC BGC BGC BGC 0.515625 0.733333
70 GLC BGC BGC BGC 0.515625 0.733333
71 NAG NAG NAG NAG NAG NAG NAG 0.512195 0.833333
72 NAG BDP NAG BDP NAG BDP NAG 0.511905 0.9
73 NAG GCU NAG GCU NAG GCU 5AX 0.511905 0.9
74 3YW 0.507463 0.913043
75 MA8 0.507042 0.843137
76 NAG NM9 0.506494 0.882353
77 NAG GAL GAL NAG 0.506329 0.9375
78 GAL NAG GAL NAG GAL NAG 0.506329 0.918367
79 A2G GAL BGC FUC 0.505882 0.978261
80 NAG GAL 2NA 0.505495 0.882353
81 GAL NGA 0.5 1
82 A2G GAL 0.5 1
83 NOJ NAG NAG 0.5 0.833333
84 NOJ NAG NAG NAG 0.5 0.818182
85 NGT NAG 0.5 0.775862
86 GAL A2G 0.5 1
87 GAL NAG GAL BGC 0.493671 1
88 BGC GAL NAG GAL 0.493671 1
89 LAT NAG GAL 0.493671 1
90 GAL NGA A2G 0.493151 0.918367
91 BGC BGC GLC 0.492537 0.733333
92 A2G GAL NAG FUC 0.488372 0.918367
93 GAL NGA GLA BGC GAL 0.487805 1
94 DLD 0.4875 0.775862
95 TNR 0.485714 0.86
96 BMA MAN MAN 0.485294 0.733333
97 GLC GAL NAG GAL FUC A2G 0.484211 0.918367
98 A2G GAL NAG FUC GAL GLC 0.484211 0.918367
99 FUC BGC GAL NAG GAL 0.483146 0.978261
100 NAG MAN GAL MAN MAN NAG GAL 0.483146 0.9375
101 NAG AH0 0.481928 0.833333
102 LEC NGA 0.481928 0.703125
103 FUC GAL NAG A2G FUC 0.477273 0.918367
104 NAG GAL FUC FUC A2G 0.477273 0.918367
105 HSQ 0.474576 0.888889
106 NAG 0.474576 0.888889
107 NDG 0.474576 0.888889
108 A2G 0.474576 0.888889
109 BM3 0.474576 0.888889
110 NGA 0.474576 0.888889
111 SN5 SN5 0.472222 0.803922
112 GAL NAG MAN 0.467532 1
113 MAN NAG GAL 0.467532 1
114 P3M 0.465753 0.6
115 GYU 0.464789 0.767857
116 NAG NAG NGT 0.464286 0.762712
117 6Y2 0.464286 0.703125
118 GAL NAG GAL 0.4625 0.957447
119 NAG GAL GAL 0.460526 1
120 GLA GAL NAG 0.460526 1
121 MAN BMA NAG 0.460526 1
122 SIA GAL NGA 0.458333 0.865385
123 NDG GAL 0.457143 1
124 NLC 0.457143 1
125 GAL NDG 0.457143 1
126 WZ5 0.455556 0.957447
127 BGA 0.449438 0.818182
128 NAG AMU NAG AMV 0.448276 0.882353
129 MMA MAN NAG MAN NAG NAG 0.448276 0.9
130 NAG BMA NAG MAN MAN NAG NAG 0.447917 0.918367
131 CTO TMX 0.444444 0.775862
132 TCG 0.444444 0.775862
133 NAG NAG BMA MAN 0.443182 0.865385
134 3PV 0.443182 0.9
135 NAG NDG BMA 0.439024 0.865385
136 NAG NAG BMA 0.439024 0.865385
137 GAL NAG SIA GAL 0.438095 0.849057
138 SIA GAL NAG GAL 0.438095 0.849057
139 GAL MGC 0.43662 0.957447
140 AO3 0.433333 0.692308
141 NAG MAN BMA NDG MAN NAG GAL 0.43 0.918367
142 CGC 0.428571 0.733333
143 6ZC 0.428571 0.68254
144 LEC 0.428571 0.68254
145 SIA NAG GAL GAL 0.427184 0.849057
146 M5G 0.425743 0.9375
147 57S 0.425 0.741379
148 FUC NAG 0.424658 0.956522
149 FUC GAL NAG GAL BGC 0.423913 0.978261
150 GUM 0.423913 0.803571
151 NAG GAL FUC 0.419753 0.978261
152 DR3 0.419753 0.978261
153 NAA NAA AMI 0.419355 0.661765
154 NAG BMA 0.418919 0.897959
155 NAG NAG BMA MAN NAG 0.418367 0.849057
156 GYT 0.417722 0.762712
157 1GN ACY GAL ACY 1GN BGC GAL BGC 0.417582 0.9375
158 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.417582 0.9375
159 NAG NAG BMA MAN MAN NAG NAG 0.417476 0.849057
160 8VZ 0.416667 0.918367
161 SNG 0.415385 0.816327
162 UMG 0.414894 0.803571
163 AMU 0.414286 0.87234
164 NAG MU2 0.41 0.818182
165 ALA NAG AH0 DAL 0.408163 0.818182
166 NAG GDL PHJ 0.40625 0.737705
167 MAN MAN NAG MAN NAG 0.404255 0.9375
168 NAG NAG BMA MAN MAN 0.404255 0.9375
169 NAG BDP 0.402597 0.916667
170 GLA GAL NAG FUC GAL GLC 0.402062 0.978261
171 NAG AMU ALA DGL 0.401961 0.833333
172 GC4 NAG 0.4 0.916667
173 GLC GLC GLC GLC 0.4 0.733333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5E89; Ligand: TD2; Similar sites found: 144
This union binding pocket(no: 1) in the query (biounit: 5e89.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.0009529 0.44612 None
2 3TAY MN0 0.002414 0.43714 None
3 1TT8 PHB 0.00391 0.42904 None
4 3QRC SCR 0.0000003546 0.42436 None
5 5DQ8 FLF 0.006009 0.41727 None
6 5IXH OTP 0.01617 0.41715 None
7 5HCY 60D 0.0216 0.41096 None
8 2BW7 ECS 0.02725 0.41086 None
9 1QY1 PRZ 0.008799 0.40635 None
10 3IS2 FAD 0.01408 0.40592 None
11 5ML3 DL3 0.02282 0.40507 None
12 3D72 FAD 0.01713 0.40443 None
13 4GCZ FMN 0.008379 0.40371 None
14 3DJV C3P 0.04583 0.4016 None
15 4WUJ FMN 0.009609 0.40103 None
16 1OUK 084 0.01942 0.44184 1.43885
17 3MF2 AMP 0.003364 0.42713 2.15827
18 4YZC STU 0.01072 0.41993 2.15827
19 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.009574 0.40949 2.15827
20 4ANW O92 0.000383 0.48384 2.8777
21 4FFG 0U8 0.0007199 0.42219 2.8777
22 2Y88 2ER 0.01123 0.41895 2.8777
23 5J75 6GQ 0.004267 0.41275 2.8777
24 3RGA LSB 0.004338 0.41244 2.8777
25 1RE8 BD2 0.03144 0.40458 2.8777
26 1ERB ETR 0.01681 0.40096 2.8777
27 1UYY BGC BGC 0.0004244 0.41963 3.05344
28 4IPH 1FJ 0.01532 0.40003 3.25203
29 1ZB6 DIN 0.0009334 0.4611 3.59712
30 1ZB6 GST 0.001006 0.4611 3.59712
31 4OPC PGT 0.02732 0.43623 3.59712
32 4R38 RBF 0.001946 0.43422 3.59712
33 5FNU L6I 0.003914 0.42902 3.59712
34 2WLG SOP 0.02365 0.4162 3.59712
35 3G5D 1N1 0.03085 0.41107 3.59712
36 1DY4 SNP 0.013 0.43425 4.31655
37 1ZM1 BGC BGC BGC 0.001448 0.43356 4.31655
38 2JDR L20 0.01212 0.43233 4.31655
39 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.01212 0.43233 4.31655
40 3MVH WFE 0.004403 0.43099 4.31655
41 4V24 GYR 0.006825 0.4163 4.31655
42 4X6F 3XU 0.02384 0.4061 4.31655
43 4JD3 PLM 0.03151 0.40453 4.31655
44 4JD3 COA 0.02913 0.40453 4.31655
45 3KH5 AMP 0.04013 0.40312 4.31655
46 4WUP 3UF 0.002577 0.46369 5.03597
47 5N87 N66 0.006573 0.42902 5.03597
48 1GP6 QUE 0.004384 0.42674 5.03597
49 2JLD AG1 0.00571 0.42569 5.03597
50 4QMN DB8 0.01548 0.41115 5.03597
51 3E8T UQ8 0.03364 0.40984 5.03597
52 3N0Y APC 0.01238 0.4028 5.03597
53 3WDX BGC BGC GLC 0.002576 0.4009 5.03597
54 5DKK FMN 0.009921 0.4004 5.03597
55 4H2V AMP 0.003428 0.42498 5.45455
56 2AG4 OLA 0.003545 0.45999 5.7554
57 2AG4 LP3 0.003928 0.45999 5.7554
58 2A1L PCW 0.00263 0.45683 5.7554
59 3G08 FEE 0.009844 0.43613 5.7554
60 5IXG OTP 0.008255 0.43424 5.7554
61 5FKP 6UL 0.004607 0.42867 5.7554
62 4QA8 PJZ 0.007175 0.41372 5.7554
63 3VBK COA 0.01939 0.41327 5.7554
64 1EWF PC1 0.01862 0.4123 5.7554
65 5AE2 FYC 0.04916 0.41016 5.7554
66 5AE2 FAD 0.04916 0.41016 5.7554
67 3VBK 0FX 0.03106 0.40566 5.7554
68 3T4L ZEA 0.007137 0.40489 5.7554
69 5SVV FMN 0.009463 0.40316 5.83942
70 3A5Y KAA 0.008835 0.41111 6.37681
71 2XMY CDK 0.002183 0.47512 6.47482
72 3SXF BK5 0.001874 0.45385 6.47482
73 4MNS 2AX 0.004039 0.45138 6.47482
74 2X4Z X4Z 0.005179 0.43279 6.47482
75 2GU8 796 0.01764 0.42337 6.47482
76 5MZI FAD 0.02087 0.4231 6.47482
77 5MZI FYK 0.02149 0.4231 6.47482
78 4WW7 AMP 0.006852 0.41129 6.47482
79 2Y8L ADP 0.03033 0.41073 6.47482
80 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.01715 0.4056 6.47482
81 4XIZ LPP 0.005608 0.42993 7.14286
82 5L2J 6UL 0.003854 0.46323 7.19424
83 5L2J 70E 0.004093 0.46323 7.19424
84 2YAK OSV 0.0009703 0.46184 7.19424
85 3M3R BCD 0.02608 0.40419 7.19424
86 4KBA 1QM 0.01514 0.40347 7.19424
87 5BVE 4VG 0.00161 0.47961 7.91367
88 5U98 1KX 0.008611 0.42867 7.91367
89 4Q0L V14 0.009562 0.411 7.91367
90 3QCQ 3Q0 0.00375 0.47354 8.63309
91 3AGC RCC 0.001379 0.45163 8.63309
92 3QUZ QUV 0.009524 0.43531 8.63309
93 4RYV ZEA 0.001219 0.41558 8.63309
94 3TCT 3MI 0.01502 0.45334 8.66142
95 1NCQ W11 0.009866 0.40051 9.35252
96 3E85 BSU 0.001409 0.46581 10.0719
97 5NCY 8TK 0.003292 0.43693 10.0719
98 3E8N ATP 0.009032 0.43052 10.0719
99 3E8N VRA 0.009032 0.43052 10.0719
100 1ODM ASV 0.00379 0.4281 10.0719
101 2RG0 CTT 0.006245 0.42249 10.0719
102 1M15 ADP 0.01289 0.41385 10.0719
103 1M15 ARG 0.01289 0.41385 10.0719
104 3E9I XAH 0.01419 0.40705 10.0719
105 3E2M E2M 0.01123 0.40628 10.0719
106 4EES FMN 0.01026 0.40156 10.4348
107 1N5S ADL 0.00143 0.4338 10.7143
108 4NV7 COA 0.0004971 0.40047 10.7914
109 4P8K FAD 0.04734 0.40018 10.7914
110 4P8K 38C 0.04734 0.40018 10.7914
111 1LFO OLA 0.002846 0.40604 10.9375
112 3L9R L9R 0.009988 0.42247 11.2245
113 4F7E 0SH 0.01426 0.41701 11.2245
114 3SCM LGN 0.009016 0.4388 11.5108
115 5LIA 6XN 0.02684 0.42118 11.5108
116 5C9J STE 0.005816 0.41273 11.5108
117 3OV6 MK0 0.01418 0.40833 11.5108
118 2GJ5 VD3 0.02083 0.40701 11.5108
119 3VQ2 LP4 LP5 MYR DAO 0.008052 0.43203 12.2302
120 4FHD 0TT 0.01329 0.41089 12.2302
121 4FHD EEM 0.01329 0.41089 12.2302
122 5VAD 91Y 0.01498 0.40841 12.2302
123 4OYA 1VE 0.02922 0.41748 12.9496
124 3B00 16A 0.002838 0.40944 12.9496
125 5HSA FAS 0.03246 0.4022 12.9496
126 2WSA MYA 0.01057 0.44939 13.6691
127 2WSA 646 0.01057 0.44939 13.6691
128 1U0A BGC BGC BGC BGC 0.006265 0.40535 13.6691
129 5A3T MMK 0.01992 0.40131 13.6691
130 1S4M LUM 0.004131 0.42944 14.3885
131 3Q8G PEE 0.01557 0.4261 14.3885
132 3KRR DQX 0.02018 0.42513 14.3885
133 3RUG DB6 0.01521 0.42193 14.7059
134 1IF7 SBR 0.007331 0.46078 15.1079
135 3BZF VAL MET ALA PRO ARG ALA LEU LEU LEU 0.005751 0.43062 15.1079
136 5A89 FMN 0.01989 0.4136 15.1079
137 2Z77 HE7 0.002038 0.43883 15.8273
138 5BYZ 4WE 0.005329 0.42843 16.5468
139 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 0.003184 0.44409 21.5827
140 4NM5 ADP 0.003685 0.42532 25
141 3M3E GAL A2G NPO 0.00000006398 0.48056 28.777
142 5HA0 LTD 0.0105 0.40911 30.9353
143 1QKQ MAN 0.0000001101 0.407 34.5324
144 3VV1 GAL FUC 0.0000000001793 0.54903 43.1655
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