Receptor
PDB id Resolution Class Description Source Keywords
4LBJ 1.8 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN GALECTIN-3 CRD K176L MUTANT IN CO LNT HOMO SAPIENS GALECTIN CARBOHYDRATE-RECOGNITION LNT GLYCOSPHINGOLIPID SANDWICH CARBOHYDRATE BINDING PROTEIN SUGAR BINDING PROTE
Ref.: GALECTIN-3 INTERACTIONS WITH GLYCOSPHINGOLIPIDS. J.MOL.BIOL. V. 426 1439 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL NAG GAL BGC A:302;
Valid;
none;
Kd = 0.39 uM
707.632 n/a O=C(N...
CL A:301;
Invalid;
none;
submit data
35.453 Cl [Cl-]
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 GAL BGC; Similar ligands found: 299
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GAL NAG GAL 1 1
2 LAT NAG GAL 1 1
3 GAL NAG GAL BGC 1 1
4 GAL NGA GLA BGC GAL 0.942857 1
5 GLC GAL NAG GAL 0.786667 1
6 NAG GAL BGC 0.780822 1
7 FUC GAL NAG GAL BGC 0.768293 0.978261
8 GLA GAL NAG FUC GAL GLC 0.764706 0.978261
9 NGA GLA GAL BGC 0.753247 1
10 GLA GAL GAL 0.716418 0.733333
11 GLA GAL BGC 0.716418 0.733333
12 A2G GAL NAG FUC GAL GLC 0.684783 0.918367
13 GLC GAL NAG GAL FUC A2G 0.684783 0.918367
14 BGC BGC BGC BGC BGC BGC BGC BGC 0.676056 0.733333
15 BGC BGC BGC BGC 0.676056 0.733333
16 GLA GAL NAG 0.666667 1
17 MAN BMA NAG 0.666667 1
18 NAG GAL GAL 0.666667 1
19 GLC GAL NAG GAL FUC FUC 0.655556 0.957447
20 BGC GAL NAG GAL FUC FUC 0.655556 0.957447
21 GAL NAG GAL NAG GAL NAG 0.641975 0.918367
22 NAG GAL GAL NAG GAL 0.641975 0.9375
23 NAG GAL GAL NAG 0.641975 0.9375
24 NGA GAL BGC 0.615385 1
25 GLC BGC 0.606061 0.733333
26 CBK 0.606061 0.733333
27 LBT 0.606061 0.733333
28 GAL BGC 0.606061 0.733333
29 BGC GAL 0.606061 0.733333
30 MAB 0.606061 0.733333
31 LAT 0.606061 0.733333
32 MAL 0.606061 0.733333
33 BGC BMA 0.606061 0.733333
34 BMA BMA 0.606061 0.733333
35 GLC GAL 0.606061 0.733333
36 GLA GAL 0.606061 0.733333
37 N9S 0.606061 0.733333
38 BMA GAL 0.606061 0.733333
39 GAL GLC 0.606061 0.733333
40 BGC GLC 0.606061 0.733333
41 CBI 0.606061 0.733333
42 GLA GLA 0.606061 0.733333
43 B2G 0.606061 0.733333
44 MAL MAL 0.606061 0.717391
45 NAG GAL NAG 0.604938 0.9375
46 GAL MGC 0.589041 0.957447
47 1GN ACY GAL ACY 1GN BGC GAL BGC 0.588889 0.9375
48 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.588889 0.9375
49 FUC BGC GAL NAG GAL 0.586957 0.978261
50 MTT 0.571429 0.733333
51 CE6 0.571429 0.733333
52 CE5 0.571429 0.733333
53 BGC GLC GLC GLC GLC GLC GLC 0.571429 0.733333
54 GAL GAL GAL 0.571429 0.733333
55 BMA MAN BMA 0.571429 0.733333
56 BGC BGC BGC GLC 0.571429 0.733333
57 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.571429 0.733333
58 BGC BGC BGC BGC BGC BGC 0.571429 0.733333
59 GLC GLC GLC GLC GLC GLC GLC GLC 0.571429 0.733333
60 BMA BMA BMA 0.571429 0.733333
61 MAN BMA BMA BMA BMA 0.571429 0.733333
62 BGC GLC GLC 0.571429 0.733333
63 GLC GAL GAL 0.571429 0.733333
64 MAN MAN BMA BMA BMA BMA 0.571429 0.733333
65 BGC GLC GLC GLC 0.571429 0.733333
66 BMA BMA BMA BMA BMA BMA 0.571429 0.733333
67 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.571429 0.733333
68 CEY 0.571429 0.733333
69 GLC BGC BGC 0.571429 0.733333
70 B4G 0.571429 0.733333
71 CEX 0.571429 0.733333
72 MT7 0.571429 0.733333
73 GLC BGC BGC BGC BGC BGC 0.571429 0.733333
74 GLC BGC BGC BGC BGC 0.571429 0.733333
75 GLC GLC GLC GLC GLC 0.571429 0.733333
76 GLC GLC BGC GLC GLC GLC GLC 0.571429 0.733333
77 DXI 0.571429 0.733333
78 MLR 0.571429 0.733333
79 CTT 0.571429 0.733333
80 CT3 0.571429 0.733333
81 MAN BMA BMA 0.571429 0.733333
82 GLC GLC GLC GLC GLC GLC GLC 0.571429 0.733333
83 GLA GAL GLC 0.571429 0.733333
84 GLC GLC BGC 0.571429 0.733333
85 CTR 0.571429 0.733333
86 CE8 0.571429 0.733333
87 BMA BMA BMA BMA BMA 0.571429 0.733333
88 BGC GLC GLC GLC GLC 0.571429 0.733333
89 GLC BGC GLC 0.571429 0.733333
90 NLC 0.567568 1
91 GAL A2G 0.567568 1
92 A2G GAL 0.567568 1
93 NDG GAL 0.567568 1
94 GAL NGA 0.567568 1
95 GAL NDG 0.567568 1
96 FUC BGC GAL NAG 0.555556 0.978261
97 SIA GAL BGC NGA GAL 0.554545 0.865385
98 BGC GAL SIA NGA GAL 0.554545 0.865385
99 GAL NGA GAL BGC SIA 0.554545 0.865385
100 GAL NGA SIA GAL BGC 0.554545 0.865385
101 A2G GAL BGC FUC 0.543478 0.978261
102 BMA BMA BMA BMA BMA BMA MAN 0.540541 0.717391
103 MAN BMA BMA BMA BMA BMA 0.540541 0.717391
104 NAG NAG BMA MAN 0.532609 0.865385
105 MAN NAG GAL 0.53012 1
106 GAL NAG MAN 0.53012 1
107 GAL NAG GAL FUC 0.52809 0.978261
108 GLA NAG GAL FUC 0.52809 0.978261
109 NAG BMA MAN MAN MAN MAN 0.521739 1
110 GLC BGC BGC BGC BGC BGC BGC 0.520548 0.733333
111 BGC BGC BGC GLC BGC BGC 0.520548 0.733333
112 BGC BGC BGC 0.520548 0.733333
113 BGC BGC BGC ASO BGC BGC ASO 0.520548 0.733333
114 GLC BGC BGC BGC 0.520548 0.733333
115 BGC BGC BGC BGC BGC 0.520548 0.733333
116 GAL NGA GAL SIA 0.518868 0.865385
117 SIA GAL NGA GAL 0.518868 0.865385
118 GAL NGA A2G 0.518519 0.918367
119 BGC GLA GAL FUC 0.517647 0.755556
120 GAL TNR 0.511905 0.918367
121 A2G SER GAL 0.511905 0.918367
122 GAL SER A2G 0.511905 0.918367
123 NGA SER GAL 0.511905 0.918367
124 8VZ 0.506494 0.918367
125 NAG NAG BMA MAN MAN 0.505155 0.9375
126 MAN MAN NAG MAN NAG 0.505155 0.9375
127 SIA GAL NAG GAL BGC 0.504348 0.849057
128 SIA GAL NAG GAL GLC 0.504348 0.849057
129 BGC GAL NAG SIA GAL 0.504348 0.849057
130 BGC BGC GLC 0.5 0.733333
131 GAL A2G THR 0.494253 0.9
132 NAG GAL 0.493671 1
133 GAL NAG 0.493671 1
134 NGA GAL 0.493671 1
135 BGC GAL SIA SIA GAL NGA 0.491228 0.865385
136 GAL BGC GAL SIA NGA SIA 0.491228 0.865385
137 NAG MAN GAL BMA NAG MAN NAG GAL 0.490196 0.918367
138 NAG MAN GAL BMA NDG MAN NAG GAL 0.490196 0.918367
139 NAG MAN MAN MAN NAG GAL NAG GAL 0.490196 0.918367
140 MAN BMA NAG NAG MAN NAG GAL GAL 0.490196 0.918367
141 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.49 1
142 GAL BGC NAG GAL 0.488636 1
143 GAL A2G MBN 0.488636 0.9375
144 NAG MBG 0.4875 0.957447
145 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.484848 0.9
146 NAG MAN BMA NDG MAN NAG GAL 0.481132 0.918367
147 M5G 0.476636 0.9375
148 BMA BMA GLA BMA BMA 0.47619 0.733333
149 BGC GAL FUC 0.47561 0.755556
150 LAT FUC 0.47561 0.755556
151 GLC GAL FUC 0.47561 0.755556
152 FUC LAT 0.47561 0.755556
153 FUC GAL GLC 0.47561 0.755556
154 GAL GAL GLC EMB MEC 0.474747 0.75
155 NPO A2G GAL 0.472527 0.714286
156 GAL A2G NPO 0.472527 0.714286
157 GAL NAG GAL 0.47191 0.957447
158 NAG BMA 0.469136 0.897959
159 NAG BDP NAG BDP NAG BDP NAG 0.46875 0.9
160 NAG GCU NAG GCU NAG GCU 5AX 0.46875 0.9
161 ABD 0.467391 0.977778
162 SLT 0.466019 0.918367
163 GLC GLC GLC BGC 0.464286 0.733333
164 GAL SIA NGA GAL 0.463636 0.865385
165 MAN MAN MAN GLC 0.463415 0.733333
166 NAG MAN GAL MAN MAN NAG GAL 0.46 0.9375
167 FUC NDG GAL 0.45977 0.978261
168 GAL NAG FUC 0.45977 0.978261
169 FUC NAG GAL 0.45977 0.978261
170 GAL NDG FUC 0.45977 0.978261
171 M13 0.459459 0.73913
172 MDM 0.459459 0.73913
173 GAL MBG 0.459459 0.73913
174 SIA SIA GAL NGA GAL 0.458333 0.849057
175 FUC GAL NAG GAL FUC 0.458333 0.957447
176 P3M 0.457831 0.6
177 CG3 A2G GAL 0.457447 0.703125
178 BGC GAL SIA 0.457143 0.9
179 SIA GAL BGC 0.457143 0.9
180 BGC SIA GAL 0.457143 0.9
181 GLA GLC SIA 0.457143 0.9
182 SIA GAL GLC 0.457143 0.9
183 SIA BGC GAL 0.457143 0.9
184 GAL BGC SIA 0.457143 0.9
185 G6S NAG 0.454545 0.762712
186 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.454545 0.9375
187 LB2 0.452055 0.733333
188 MAN GLC 0.452055 0.733333
189 M3M 0.452055 0.733333
190 CBS 0.451219 0.9375
191 NAG NDG 0.451219 0.9375
192 NAG GDL 0.451219 0.9375
193 CBS CBS 0.451219 0.9375
194 NAG NGA 0.451219 0.9375
195 NAG A2G 0.451219 0.9375
196 NAG NDG BMA 0.450549 0.865385
197 NAG NAG BMA 0.450549 0.865385
198 GAL FUC 0.447368 0.733333
199 A2G MBG 0.445783 0.957447
200 MBG A2G 0.445783 0.957447
201 MAN NAG 0.444444 1
202 MAG FUC GAL 0.443182 0.9375
203 GLA EGA 0.441558 0.73913
204 MMA MAN 0.44 0.73913
205 DR5 0.44 0.73913
206 4U0 0.439252 0.9
207 NAG FUC 0.439024 0.934783
208 FUC NAG 0.439024 0.956522
209 LAT GLA 0.438356 0.733333
210 GLC GLC FRU 0.438202 0.66
211 NAG MAN MMA 0.438202 0.957447
212 FUL GAL NAG 0.438202 0.978261
213 FUC GAL NDG 0.438202 0.978261
214 FUC GAL NAG 0.438202 0.978261
215 DR2 0.438202 0.978261
216 NDG GAL FUC 0.438202 0.978261
217 SIA NAG GAL GAL 0.4375 0.849057
218 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.436508 0.833333
219 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.436508 0.833333
220 GAL LOG 0.435294 0.803571
221 LOG GAL 0.435294 0.803571
222 GLC GLC BGC XYS BGC XYS 0.434783 0.702128
223 FUC BGC GAL 0.433735 0.755556
224 DR3 0.433333 0.978261
225 NAG GAL FUC 0.433333 0.978261
226 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.433071 0.833333
227 BGC GAL SIA NGA GAL SIA 0.430769 0.737705
228 NAG NAG NAG NAG NAG NAG 0.430233 0.918367
229 NAG NAG NAG 0.430233 0.918367
230 NAG NAG NDG 0.430233 0.918367
231 NDG NAG NAG NAG 0.430233 0.918367
232 NAG NAG NAG NDG 0.430233 0.918367
233 NDG NAG NAG 0.430233 0.918367
234 NDG NAG NAG NDG NAG 0.430233 0.918367
235 NDG NAG NAG NDG 0.430233 0.918367
236 NAG NAG NAG NAG NDG NAG 0.430233 0.918367
237 CTO 0.430233 0.918367
238 NAG NAG NAG NAG NAG NAG NAG NAG 0.430233 0.918367
239 NAG NAG NAG NAG 0.430233 0.918367
240 NAG NAG NAG NAG NAG 0.430233 0.918367
241 NAG NAG NAG NAG NDG 0.430233 0.918367
242 GLC ACI G6D GLC 0.43 0.8
243 GLC ACI GLD GAL 0.43 0.8
244 NAG BMA NAG MAN MAN NAG NAG 0.429907 0.918367
245 BMA BMA MAN 0.428571 0.717391
246 U63 0.428571 0.673469
247 AAO 0.427184 0.836735
248 ARE 0.427184 0.836735
249 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.425532 0.702128
250 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.425532 0.702128
251 BGC BGC BGC XYS GAL 0.425532 0.702128
252 BGC BGC BGC XYS BGC BGC 0.425532 0.702128
253 GLC FUC GAL FUC A2G 0.424242 0.957447
254 BGC FUC GAL FUC A2G 0.424242 0.957447
255 GAL NOK 0.423529 0.814815
256 GLC GLC GLC GLC GLC GLC 0.423529 0.733333
257 NOK GAL 0.423529 0.814815
258 NAG NAG BMA MAN MAN MAN MAN 0.421053 0.865385
259 A2G GAL NAG FUC 0.42 0.918367
260 BMA MAN MAN 0.419753 0.733333
261 2M4 0.418919 0.733333
262 BGC BGC 0.418919 0.733333
263 MAN MAN 0.418919 0.733333
264 BGC GAL SIA NGA 0.418803 0.865385
265 GAL BGC SIA NGA 0.418803 0.865385
266 SIA GAL BGC NGA 0.418803 0.865385
267 GLC ACI G6D BGC 0.418367 0.851064
268 GLC G6D ACI GLC 0.418367 0.851064
269 GLC ACI GLD GLC 0.418367 0.851064
270 GLC G6D ADH GLC 0.418367 0.851064
271 FUC GLA A2G 0.417582 0.978261
272 FUC GL0 A2G 0.417582 0.978261
273 A2G GAL FUC 0.417582 0.978261
274 NGA GAL FUC 0.417582 0.978261
275 A2G GLA FUC 0.417582 0.978261
276 FUC GAL A2G 0.417582 0.978261
277 GLA GAL BGC 5VQ 0.414634 0.708333
278 FUC NAG GLA GAL 0.414141 0.957447
279 GLC GLC ACI G6D GLC GLC 0.413462 0.8
280 ACR GLC GLC GLC 0.413462 0.8
281 GLC GLC AGL HMC GLC 0.413462 0.8
282 GLC GLC DAF BGC 0.413462 0.8
283 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.412844 0.918367
284 GAL SIA NGA GAL SIA 0.412281 0.865385
285 NAG MAN BMA 0.408602 1
286 NAG MAN MAN 0.408602 1
287 SGA MAG FUC 0.408163 0.709677
288 GLC AGL GLC HMC 0.407767 0.784314
289 CGC 0.407407 0.733333
290 GLC GLC XYP 0.406977 0.733333
291 GAL BGC BGC XYS 0.406593 0.702128
292 BGC SIA SIA GAL 0.403361 0.849057
293 SIA SIA GLA BGC 0.403361 0.849057
294 NAG BDP 0.402299 0.916667
295 MAN MAN BMA MAN 0.402299 0.733333
296 MAN MAN MAN MAN 0.402299 0.733333
297 GLC GLC G6D ACI GLC GLC GLC 0.401961 0.851064
298 MAL EDO 0.4 0.702128
299 G2F BGC BGC BGC BGC BGC 0.4 0.66
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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