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Receptor
PDB id Resolution Class Description Source Keywords
4LBM 1.55 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN GALECTIN-3 CRD IN COMPLEX WITH LN 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
BGC GAL NAG GAL A:301;
Valid;
none;
Kd = 0.97 uM
707.632 n/a O=C(N...
CL A:305;
A:307;
A:309;
A:306;
A:308;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ODY 1.15 Å NON-ENZYME: BINDING GALECTIN-3C IN COMPLEX WITH DITHIOGALACTOSIDE DERIVATIVE HOMO SAPIENS LECTIN CARBOHYDRATE-BINDING PROTEIN GALACTOSE-SPECIFIC LECGALACTOSIDE-BINDING PROTEIN GALBP IGE-6 BINDING PROTEIN LAMININ-BINDING PROTEIN LECTIN L-29 MAC-2 SUGAR BINDING
Ref.: SYSTEMATIC TUNING OF FLUORO-GALECTIN-3 INTERACTIONS THIODIGALACTOSIDE DERIVATIVES WITH SINGLE-DIGIT NM AND HIGH SELECTIVITY. J. MED. CHEM. V. 61 1164 2018
Members (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 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
70% Homology Family (43)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 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 4XBN Kd = 93 uM GAL NAG n/a n/a
39 5H9R Kd = 0.84 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
40 5H9P Kd = 0.068 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
41 6FOF - LAT C12 H22 O11 C([C@@H]1[....
42 5NFB Kd = 0.77 uM 8VT C30 H40 N2 O13 CC(=O)N[C@....
43 5NF7 Kd = 37.5 uM 8VZ C16 H28 N2 O11 CC(=O)N[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: BGC GAL NAG GAL; Similar ligands found: 272
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GAL NAG GAL 1 1
2 GAL NAG GAL GLC 1 1
3 GAL NGA GLA BGC GAL 0.942857 1
4 LAT NAG GAL 0.786667 1
5 GLC GAL NAG GAL 0.786667 1
6 NAG GAL BGC 0.780822 1
7 GAL GLC NAG GAL FUC 0.768293 0.978261
8 FUC GAL NAG GAL BGC 0.768293 0.978261
9 GLC NAG GAL GAL FUC 0.768293 0.978261
10 GLA GAL NAG FUC GAL GLC 0.764706 0.978261
11 NGA GLA GAL BGC 0.753247 1
12 GLA GAL GAL 0.716418 0.733333
13 A2G GAL NAG FUC GAL GLC 0.684783 0.918367
14 GLC GAL NAG GAL FUC A2G 0.684783 0.918367
15 BGC BGC BGC BGC BGC BGC BGC BGC 0.676056 0.733333
16 GLA GAL NAG 0.666667 1
17 MAN BMA NAG 0.666667 1
18 BGC GAL NAG GAL FUC FUC 0.655556 0.957447
19 GLC GAL NAG GAL FUC FUC 0.655556 0.957447
20 NAG GAL GAL NAG 0.641975 0.9375
21 NAG GAL GAL NAG GAL 0.641975 0.9375
22 GAL NAG GAL NAG GAL NAG 0.641975 0.918367
23 NGA GAL BGC 0.615385 1
24 CBK 0.606061 0.733333
25 BGC GAL 0.606061 0.733333
26 LBT 0.606061 0.733333
27 N9S 0.606061 0.733333
28 B2G 0.606061 0.733333
29 MAL 0.606061 0.733333
30 BMA GAL 0.606061 0.733333
31 GLA GAL 0.606061 0.733333
32 BGC BMA 0.606061 0.733333
33 LAT 0.606061 0.733333
34 GLA GLA 0.606061 0.733333
35 CBI 0.606061 0.733333
36 GLC GAL 0.606061 0.733333
37 MAB 0.606061 0.733333
38 GAL BGC 0.606061 0.733333
39 NAG GAL NAG 0.604938 0.9375
40 GAL MGC 0.589041 0.957447
41 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.588889 0.9375
42 1GN ACY GAL ACY 1GN BGC GAL BGC 0.588889 0.9375
43 FUC BGC GAL NAG GAL 0.586957 0.978261
44 GAL NAG GAL BGC 0.574713 0.957447
45 GLA GAL GLC 0.571429 0.733333
46 MLR 0.571429 0.733333
47 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.571429 0.733333
48 BGC GLC GLC GLC GLC 0.571429 0.733333
49 BMA MAN BMA 0.571429 0.733333
50 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.571429 0.733333
51 BMA BMA BMA BMA BMA 0.571429 0.733333
52 DXI 0.571429 0.733333
53 GAL GAL GAL 0.571429 0.733333
54 MAN BMA BMA BMA BMA 0.571429 0.733333
55 BGC BGC BGC BGC 0.571429 0.733333
56 MAN BMA BMA 0.571429 0.733333
57 GLC BGC GLC 0.571429 0.733333
58 GLC BGC BGC BGC BGC 0.571429 0.733333
59 CE8 0.571429 0.733333
60 BGC GLC GLC GLC 0.571429 0.733333
61 CT3 0.571429 0.733333
62 MAN BMA BMA BMA BMA BMA 0.571429 0.733333
63 BGC BGC BGC BGC BGC BGC 0.571429 0.733333
64 MTT 0.571429 0.733333
65 BGC BGC GLC 0.571429 0.733333
66 GLC BGC BGC BGC 0.571429 0.733333
67 BGC BGC BGC BGC BGC 0.571429 0.733333
68 MT7 0.571429 0.733333
69 BGC BGC BGC GLC 0.571429 0.733333
70 BGC BGC BGC 0.571429 0.733333
71 GLC BGC BGC BGC BGC BGC 0.571429 0.733333
72 CEX 0.571429 0.733333
73 CE6 0.571429 0.733333
74 BGC GLC GLC GLC GLC GLC GLC 0.571429 0.733333
75 GLC GLC GLC GLC GLC 0.571429 0.733333
76 GLC GAL GAL 0.571429 0.733333
77 CE5 0.571429 0.733333
78 BMA BMA BMA BMA BMA BMA 0.571429 0.733333
79 B4G 0.571429 0.733333
80 GLC BGC BGC 0.571429 0.733333
81 MAN MAN BMA BMA BMA BMA 0.571429 0.733333
82 GLC GLC BGC 0.571429 0.733333
83 BGC GLC GLC 0.571429 0.733333
84 CTR 0.571429 0.733333
85 BMA BMA BMA 0.571429 0.733333
86 GLA GAL BGC 0.571429 0.733333
87 CTT 0.571429 0.733333
88 CEY 0.571429 0.733333
89 GAL NGA 0.567568 1
90 NDG GAL 0.567568 1
91 GAL A2G 0.567568 1
92 A2G GAL 0.567568 1
93 NLC 0.567568 1
94 GAL NDG 0.567568 1
95 GAL NGA A2G 0.5625 0.9375
96 FUC BGC GAL NAG 0.555556 0.978261
97 GAL NGA GAL BGC SIA 0.554545 0.865385
98 BGC GAL SIA NGA GAL 0.554545 0.865385
99 GAL NGA SIA GAL BGC 0.554545 0.865385
100 SIA GAL BGC NGA GAL 0.554545 0.865385
101 A2G GAL BGC FUC 0.543478 0.978261
102 NAG NAG BMA MAN 0.532609 0.865385
103 GAL NAG MAN 0.53012 1
104 GLA NAG GAL FUC 0.52809 0.978261
105 GAL NAG GAL FUC 0.52809 0.978261
106 GLC BGC BGC BGC BGC BGC BGC 0.520548 0.733333
107 BGC BGC BGC GLC BGC BGC 0.520548 0.733333
108 BGC GLA GAL FUC 0.517647 0.755556
109 8VZ 0.506494 0.918367
110 GAL SER A2G 0.505882 0.882353
111 NGA SER GAL 0.505882 0.882353
112 GAL TNR 0.505882 0.882353
113 A2G SER GAL 0.505882 0.882353
114 GAL A2G MBN 0.505747 0.957447
115 NAG BMA MAN MAN MAN MAN 0.505263 1
116 NAG NAG BMA MAN MAN 0.505155 0.9375
117 SIA GAL NAG GAL GLC 0.504348 0.849057
118 BGC GAL NAG SIA GAL 0.504348 0.849057
119 SIA GAL NAG GAL BGC 0.504348 0.849057
120 XYT 0.5 0.6
121 GAL A2G THR 0.494253 0.882353
122 NAG GAL 0.493671 1
123 GAL NAG 0.493671 1
124 BGC GAL SIA SIA GAL NGA 0.491228 0.865385
125 BGC GAL SIA NGA GAL SIA 0.491228 0.865385
126 MAN BMA NAG NAG MAN NAG GAL GAL 0.490196 0.918367
127 NAG MAN MAN MAN NAG GAL NAG GAL 0.490196 0.918367
128 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.49 1
129 GAL BGC NAG GAL 0.488636 1
130 NAG MBG 0.4875 0.957447
131 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.484848 0.9
132 NAG MAN BMA NDG MAN NAG GAL 0.481132 0.918367
133 NAG NAG BMA MAN MAN NAG GAL NAG 0.476636 0.918367
134 M5G 0.476636 0.9375
135 BMA BMA GLA BMA BMA 0.47619 0.733333
136 LAT FUC 0.47561 0.755556
137 8B7 0.47561 0.755556
138 FUC GAL GLC 0.47561 0.755556
139 GLC GAL FUC 0.47561 0.755556
140 BGC GAL FUC 0.47561 0.755556
141 GAL A2G NPO 0.472527 0.714286
142 NPO A2G GAL 0.472527 0.714286
143 GAL NAG GAL 0.47191 0.957447
144 NAG BMA 0.469136 0.897959
145 BMA BMA BMA BMA 0.469136 0.733333
146 NAG BDP NAG BDP NAG BDP NAG 0.46875 0.9
147 ABD 0.467391 0.977778
148 SLT 0.466019 0.918367
149 GLC GLC GLC BGC 0.464286 0.733333
150 GAL SIA NGA GAL 0.463636 0.865385
151 SIA GAL NGA GAL 0.463636 0.865385
152 MAN MAN MAN GLC 0.463415 0.733333
153 FUC C4W NAG BMA MAN 0.462264 0.865385
154 GAL NDG FUC 0.45977 0.978261
155 FUC NDG GAL 0.45977 0.978261
156 GAL MBG 0.459459 0.73913
157 MDM 0.459459 0.73913
158 M13 0.459459 0.73913
159 SIA SIA GAL NGA GAL 0.458333 0.849057
160 FUC GAL NAG GAL FUC 0.458333 0.957447
161 P3M 0.457831 0.6
162 CG3 A2G GAL 0.457447 0.703125
163 SIA GAL BGC 0.457143 0.9
164 GAL BGC SIA 0.457143 0.9
165 BGC SIA GAL 0.457143 0.9
166 GLA GLC SIA 0.457143 0.9
167 SIA GAL GLC 0.457143 0.9
168 BGC GAL SIA 0.457143 0.9
169 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.454545 0.9375
170 LB2 0.452055 0.733333
171 M3M 0.452055 0.733333
172 MAN GLC 0.452055 0.733333
173 NGR 0.452055 0.733333
174 NAG MAN BMA MAN NAG GAL 0.451923 0.9375
175 NAG NGA 0.451219 0.9375
176 NAG A2G 0.451219 0.9375
177 NAG GDL 0.451219 0.9375
178 CBS CBS 0.451219 0.9375
179 CBS 0.451219 0.9375
180 NDG NAG 0.451219 0.9375
181 NAG A2G GAL 0.450549 0.9375
182 NAG NDG BMA 0.450549 0.865385
183 NAG NAG BMA 0.450549 0.865385
184 GAL FUC 0.447368 0.733333
185 MBG A2G 0.445783 0.957447
186 A2G MBG 0.445783 0.957447
187 NAG MAN BMA 0.443182 1
188 MAG FUC GAL 0.443182 0.9375
189 GLA EGA 0.441558 0.73913
190 DR5 0.44 0.73913
191 MMA MAN 0.44 0.73913
192 4U0 0.439252 0.9
193 NAG FUC 0.439024 0.934783
194 LAT GLA 0.438356 0.733333
195 FUC GAL NAG 0.438202 0.978261
196 NDG GAL FUC 0.438202 0.978261
197 NAG MAN MMA 0.438202 0.957447
198 GAL NAG FUC 0.438202 0.978261
199 FUL GAL NAG 0.438202 0.978261
200 FUC GAL NDG 0.438202 0.978261
201 G6S NAG 0.438202 0.725806
202 DR2 0.438202 0.978261
203 NAG GAL FUC 0.438202 0.978261
204 SIA NAG GAL GAL 0.4375 0.849057
205 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.436508 0.833333
206 GAL LOG 0.435294 0.803571
207 FUC BGC GAL 0.433735 0.755556
208 DR3 0.433333 0.978261
209 NDG NAG NAG 0.430233 0.918367
210 NAG NAG NAG NAG NDG 0.430233 0.918367
211 NAG NAG NAG NAG NAG 0.430233 0.918367
212 NAG NAG NDG 0.430233 0.918367
213 NAG NAG NAG NAG NAG NAG NAG NAG 0.430233 0.918367
214 NAG NAG NAG NDG 0.430233 0.918367
215 NDG NAG NAG NDG 0.430233 0.918367
216 NAG NAG NAG NAG NAG NAG 0.430233 0.918367
217 CTO 0.430233 0.918367
218 NAG NAG NDG NAG 0.430233 0.918367
219 NDG NAG NAG NAG 0.430233 0.918367
220 NAG BMA NAG MAN MAN NAG NAG 0.429907 0.918367
221 U63 0.428571 0.673469
222 ARE 0.427184 0.836735
223 AAO 0.427184 0.836735
224 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.425532 0.702128
225 BGC BGC BGC XYS GAL 0.425532 0.702128
226 BGC BGC BGC XYS BGC BGC 0.425532 0.702128
227 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.425532 0.702128
228 GLC FUC GAL FUC A2G 0.424242 0.957447
229 BGC FUC GAL FUC A2G 0.424242 0.957447
230 NAG NAG BMA MAN MAN MAN MAN 0.421053 0.865385
231 A2G GAL NAG FUC 0.42 0.918367
232 FUC GAL NAG A2G 0.42 0.918367
233 2M4 0.418919 0.733333
234 GAL BGC SIA NGA 0.418803 0.865385
235 SIA GAL BGC NGA 0.418803 0.865385
236 BGC GAL SIA NGA 0.418803 0.865385
237 GLC ACI GLD GLC 0.418367 0.836735
238 GLC G6D ADH GLC 0.418367 0.836735
239 GLC ACI G6D BGC 0.418367 0.836735
240 GLC G6D ACI GLC 0.418367 0.836735
241 FUC GLA A2G 0.417582 0.978261
242 A2G GAL FUC 0.417582 0.978261
243 NGA GAL FUC 0.417582 0.978261
244 FUC GAL A2G 0.417582 0.978261
245 A2G GLA FUC 0.417582 0.978261
246 GLC ACI G6D GLC 0.415842 0.803922
247 GLC ACI GLD GAL 0.415842 0.803922
248 GLA GAL BGC 5VQ 0.414634 0.708333
249 BMA MAN MAN MAN 0.414634 0.733333
250 FUC NAG GLA GAL 0.414141 0.957447
251 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.412844 0.918367
252 GAL SIA NGA GAL SIA 0.412281 0.865385
253 GAL NGA GAL SIA 0.412281 0.849057
254 NAG NAG FUL BMA MAN MAN NAG GAL 0.411765 0.849057
255 NAG MAN MAN 0.408602 1
256 BQZ 0.408451 0.666667
257 CGC 0.407407 0.733333
258 GLC GLC XYP 0.406977 0.733333
259 GAL BGC BGC XYS 0.406593 0.702128
260 BGC SIA SIA GAL 0.403361 0.849057
261 SIA SIA GLA BGC 0.403361 0.849057
262 NAG BDP 0.402299 0.916667
263 MAN MAN BMA MAN 0.402299 0.733333
264 MAN MAN MAN MAN 0.402299 0.733333
265 FUC NAG GAL 0.402174 0.9
266 GLC GLC G6D ACI GLC GLC GLC 0.401961 0.836735
267 G2F BGC BGC BGC BGC BGC 0.4 0.66
268 MAL EDO 0.4 0.702128
269 GLC GLC AGL HMC GLC 0.4 0.803922
270 GLC GLC ACI G6D GLC GLC 0.4 0.803922
271 GLC GLC DAF BGC 0.4 0.803922
272 ACR GLC GLC GLC 0.4 0.803922
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ODY; Ligand: 9SK; Similar sites found with APoc: 253
This union binding pocket(no: 1) in the query (biounit: 5ody.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3QRC SCR None
2 6GNO XDI None
3 5OCG 9R5 None
4 5HCY 60D None
5 3TAY MN0 None
6 6GR0 F8W None
7 5DQ8 FLF None
8 1TT8 PHB None
9 5FPX GLY SER SER HIS HIS HIS HIS HIS None
10 3ZO7 K6H None
11 2P7Q GG6 None
12 1P0Z FLC None
13 5LN8 GAL None
14 5F3I 5UJ None
15 6FA4 D1W None
16 3KFF ZBT None
17 3KFF XBT None
18 4IAW LIZ None
19 5NIU 8YZ None
20 5IXH OTP None
21 3I7V ATP None
22 3MTX PGT None
23 5ML3 DL3 None
24 1N9L FMN None
25 3RJY GLC 1.44928
26 3MF2 AMP 2.17391
27 1Y7P RIP 2.17391
28 4YZC STU 2.17391
29 4H2X G5A 2.17391
30 6F97 FAD 2.17391
31 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 2.17391
32 5EZU MYR 2.24719
33 6C1S EFV 2.89855
34 2HZQ STR 2.89855
35 3HCH RSM 2.89855
36 5J75 6GQ 2.89855
37 3RGA LSB 2.89855
38 5HCF BGC 2.89855
39 4FFG 0U8 2.89855
40 2Y88 2ER 2.89855
41 1Z03 OCH 2.89855
42 4GJ3 0XP 2.89855
43 2C78 PUL 2.89855
44 1UYY BGC BGC 3.05344
45 4OPC PGT 3.62319
46 4OPC FDA 3.62319
47 1ZB6 GST 3.62319
48 1ZB6 DIN 3.62319
49 2CDO GAL AAL GAL AAL GAL AAL 3.62319
50 2OBD 2OB 3.62319
51 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 3.62319
52 6MPT C30 3.62319
53 5FNU L6I 3.62319
54 1ELI PYC 3.62319
55 1GU3 BGC BGC BGC BGC BGC 3.62319
56 3G5D 1N1 3.62319
57 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 3.62319
58 5IH9 6BF 3.62319
59 3L24 GOA 3.62319
60 5DYO FLU 3.62319
61 2WLG SOP 3.62319
62 2RDE C2E 3.62319
63 6BU0 IHP 3.81679
64 6D61 4AA 4.34783
65 3AGC RCC 4.34783
66 1ZM1 BGC BGC BGC 4.34783
67 3PE2 E1B 4.34783
68 3A16 PXO 4.34783
69 2JDR L20 4.34783
70 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 4.34783
71 1DY4 SNP 4.34783
72 5E2N V14 4.34783
73 3MVH WFE 4.34783
74 3JU6 ANP 4.34783
75 4RD0 GDP 4.34783
76 5W75 SUC 4.34783
77 1Y2F WAI 4.34783
78 4KYS VIB 4.34783
79 3HAV ATP 4.34783
80 4X6F 3XU 4.34783
81 2FUE M1P 4.34783
82 3UG4 AHR 4.34783
83 3ESS 18N 4.34783
84 4ZU4 4TG 4.34783
85 5B09 4MX 4.80769
86 4WUP 3UF 5.07246
87 5KJW 53C 5.07246
88 2VFT SOR 5.07246
89 5N87 N66 5.07246
90 2JLD AG1 5.07246
91 3WDX BGC BGC GLC 5.07246
92 5EQY 5RA 5.07246
93 1GP6 QUE 5.07246
94 1GP6 DH2 5.07246
95 1GP6 SIN 5.07246
96 1J3R 6PG 5.07246
97 2AGC DAO 5.07246
98 4R38 RBF 5.07246
99 2XK9 XK9 5.07246
100 6GVZ CHO 5.07246
101 4NS0 PIO 5.26316
102 5ACM MBT 5.40541
103 4H2V AMP 5.45455
104 4HIA FMN 5.68182
105 2AG4 OLA 5.7971
106 2AG4 LP3 5.7971
107 2A1L PCW 5.7971
108 2IUW AKG 5.7971
109 5TV6 PML 5.7971
110 4QXB OGA 5.7971
111 3G08 FEE 5.7971
112 4JH6 FCN 5.7971
113 5FKP 6UL 5.7971
114 2RDG NDG FUC SIA GAL 5.7971
115 2YKL NLD 5.7971
116 4QA8 PJZ 5.7971
117 3T4L ZEA 5.7971
118 3VBK COA 5.7971
119 1DMY AZM 5.7971
120 2G30 ALA ALA PHE 6.52174
121 2XMY CDK 6.52174
122 4MNS 2AX 6.52174
123 4ONA UW1 6.52174
124 5XVG 8FX 6.52174
125 1U6R ADP 6.52174
126 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 6.52174
127 4HWT 1B2 6.52174
128 4WW7 AMP 6.52174
129 5WS9 OXL 6.52174
130 2GQS C2R 6.52174
131 4H69 10Y 6.52174
132 4XIZ LPP 7.14286
133 5WL1 CUY 7.24638
134 5WL1 D3D 7.24638
135 2YAK OSV 7.24638
136 5EOB 5QQ 7.24638
137 5Y72 DST 7.24638
138 4J36 1HR 7.24638
139 4KBA 1QM 7.24638
140 2WQN ADP 7.24638
141 1I1E DM2 7.24638
142 4RF7 ARG 7.97101
143 5U98 1KX 7.97101
144 5BVE 4VG 7.97101
145 1QIN GIP 7.97101
146 4DE3 DN8 7.97101
147 1VA6 ADP 7.97101
148 2QK4 ATP 7.97101
149 5FXD H7Y 7.97101
150 4XJ6 GH3 7.97101
151 4YGF AZM 7.97101
152 5AYT L6Y 7.97101
153 5FUI APY 8.33333
154 3TCT 3MI 8.66142
155 2HRL SIA GAL SIA BGC NGA CEQ 8.66142
156 3RWP ABQ 8.69565
157 5DEY 59T 8.69565
158 1SDW IYT 8.69565
159 3QUZ QUV 8.69565
160 4RYV ZEA 8.69565
161 3JQ3 ADP 8.69565
162 3IU9 T07 8.69565
163 1C9K 5GP 8.69565
164 2BOS GLA GAL 8.82353
165 2BOS GLA GAL GLC 8.82353
166 1UMZ BGC BGC XYS BGC XYS GAL 9.42029
167 3ZXR IQ1 9.42029
168 3ZXR P3S 9.42029
169 3ILR SGN IXD 9.42029
170 6GH9 MIX 9.42029
171 5FU3 BGC BGC BGC 9.43396
172 3K4Z CBI 10.1449
173 3E85 BSU 10.1449
174 1OFL NGK GCD 10.1449
175 5AE9 OKO 10.1449
176 5X7Q GLC GLC GLC GLC 10.1449
177 5X7Q GLC GLC GLC GLC GLC 10.1449
178 2RG0 CTT 10.1449
179 1ODM ASV 10.1449
180 3E2M E2M 10.1449
181 4L3L 5FI 10.1449
182 5F6U 5VK 10.1449
183 3GD9 GLC BGC BGC BGC 10.1449
184 3E9I XAH 10.1449
185 1M15 ARG 10.1449
186 1M15 ADP 10.1449
187 4WVO 3UZ 10.1449
188 1N5S ADL 10.7143
189 4L4J NAG NAG BMA MAN NAG 10.8696
190 4NV7 COA 10.8696
191 3NZ1 3NY 10.8696
192 4HWS 1B3 10.8696
193 1BHX ASP PHE GLU GLU ILE 10.8696
194 1I7E IBS 10.8696
195 1E1O LYS 10.8696
196 4WOE ADP 10.8696
197 4WHZ 3NL 10.8696
198 1LFO OLA 10.9375
199 2VDF OCT 11.5942
200 3SCM LGN 11.5942
201 4D1J DGJ 11.5942
202 4H6B 10Y 11.5942
203 5LX9 OLB 11.5942
204 4H6B 10X 11.5942
205 3OV6 MK0 11.5942
206 2Z77 HE7 12.3188
207 3VQ2 LP4 LP5 MYR DAO 12.3188
208 3KYF 5GP 5GP 12.3188
209 4DXG NDG FUC SIA GAL 12.3188
210 5J3Z 6FQ 12.3188
211 4FHD EEM 12.3188
212 4FHD 0TT 12.3188
213 1RJW ETF 12.3188
214 5VAD 91Y 12.3188
215 5L2R MLA 12.3188
216 5NBP BGC BGC BGC 13.0435
217 4OYA 1VE 13.0435
218 3B00 16A 13.0435
219 5KD6 6C7 13.0435
220 5HSA FAS 13.0435
221 2WSA MYA 13.7681
222 2WSA 646 13.7681
223 1U0A BGC BGC BGC BGC 13.7681
224 4BJZ FAD 13.7681
225 4BJZ P3A 13.7681
226 3PFG SAM 13.7681
227 3PFG TLO 13.7681
228 5KEW 6SB 13.8298
229 2VL1 GLY GLY 14.4928
230 2YNE NHW 14.4928
231 2YNE YNE 14.4928
232 1S4M LUM 14.4928
233 5Y4R C2E 14.4928
234 3Q8G PEE 14.4928
235 3RUG DB6 14.7059
236 5OM2 DXT 15
237 5NEA 8V8 15.2174
238 2QL9 CIT 15.4639
239 5VNF VAL THR SER VAL VAL 15.942
240 5JSP DQY 15.942
241 3A5Y KAA 15.942
242 3A5Z KAA 15.942
243 1VRP ADP 16.6667
244 3H5N ATP 16.6667
245 5IVE 6E8 18.1159
246 1I82 BGC BGC 18.8406
247 6DZN AE3 21.0145
248 1OJJ GLC GAL 21.0145
249 1OJK GLC BGC 21.0145
250 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 21.7391
251 3M3E GAL A2G NPO 28.9855
252 5EJL C2E 28.9855
253 3VV1 GAL FUC 43.4783
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