Receptor
PDB id Resolution Class Description Source Keywords
2NMO 1.35 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN GALECTIN-3 CARBOHYDRATE-RECOGNITI AT 1.35 ANGSTROM RESOLUTION HOMO SAPIENS BETA-SANDWICH SUGAR BINDING PROTEIN
Ref.: SLOW DIFFUSION OF LACTOSE OUT OF GALECTIN-3 CRYSTAL MONITORED BY X-RAY CRYSTALLOGRAPHY: POSSIBLE IMPLIC FOR LIGAND-EXCHANGE PROTOCOLS ACTA CRYSTALLOGR.,SECT.D V. 63 415 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL BGC A:500;
Valid;
none;
Kd = 260 uM
342.297 n/a O(C1C...
CL A:502;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:300;
A:400;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
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 (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 544 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 6QLQ Kd = 31 uM J4E C21 H22 F N3 O4 S Cc1ccc(cc1....
4 1A3K - GAL NAG n/a n/a
5 3T1M Kd = 0.91 mM DQT C23 H27 N O7 Cc1ccc(cc1....
6 6RHM - J1E C25 H26 F2 N6 O5 S c1cc(cc(c1....
7 4LBL Kd = 11 uM BGC SIA GAL n/a n/a
8 6I77 Kd = 11 uM H5Q C21 H20 F4 N4 O4 S Cc1ccc(cc1....
9 2NMN Kd = 260 uM GAL BGC n/a n/a
10 4R9B - LAT C12 H22 O11 C([C@@H]1[....
11 6RHL - J0T C25 H26 F2 N6 O5 S c1cc(cc(c1....
12 2NN8 Kd = 260 uM LAT C12 H22 O11 C([C@@H]1[....
13 6QLP Kd = 22 uM J3Q C21 H20 F3 N3 O4 S Cc1ccc(cc1....
14 4JC1 Kd = 50 uM TDG C12 H22 O10 S C([C@@H]1[....
15 4R9A - LAT C12 H22 O11 C([C@@H]1[....
16 6QLS Kd = 15 uM HRK C20 H27 N3 O9 S c1ccc(cc1)....
17 5EXO - 5SY C19 H22 O9 CC(=O)O[C@....
18 5ODY Kd = 7.5 nM 9SK C30 H28 F5 N3 O11 S c1cc(c(c2c....
19 5E88 Kd = 0.065 uM 5KT C24 H28 N6 O8 S3 c1cscc1c2c....
20 4R9D - LAT C12 H22 O11 C([C@@H]1[....
21 6QLR Kd = 8.8 uM J4N C21 H21 F2 N3 O4 S Cc1ccc(cc1....
22 1KJL Kd = 67 uM GAL NAG n/a n/a
23 6QLU Kd = 5.2 uM J62 C22 H24 F N3 O4 S Cc1ccc(cc1....
24 3T1L Kd = 0.55 mM MQT C17 H22 O8 Cc1ccc(cc1....
25 2XG3 Kd = 18.2 uM UNU GAL NAG n/a n/a
26 4LBJ Kd = 0.39 uM GAL NAG GAL BGC n/a n/a
27 6QLN Kd = 88 uM J5Q C21 H22 F N3 O4 S Cc1ccc(cc1....
28 4R9C - LAT C12 H22 O11 C([C@@H]1[....
29 6I74 Kd = 3.4 uM H5Z C21 H18 F5 N3 O4 S Cc1ccc(cc1....
30 3ZSJ Kd = 231 uM LAT C12 H22 O11 C([C@@H]1[....
31 4LBM Kd = 0.97 uM BGC GAL NAG GAL n/a n/a
32 1KJR Kd = 0.88 uM BEK GAL NAG n/a n/a
33 6EOL Kd = 0.037 uM BKH C20 H16 Cl2 F3 N3 O4 S c1cc(c(cc1....
34 6I78 Kd = 18 uM H5H C22 H22 F4 N4 O4 S Cc1ccc(cc1....
35 6QGE Kd = 0.00000145 M J1E C25 H26 F2 N6 O5 S c1cc(cc(c1....
36 6G0V Kd = 166 uM EGZ C18 H25 N O13 S C1[C@H](NC....
37 3AYE - LAT C12 H22 O11 C([C@@H]1[....
38 6QLT Kd = 23 uM J5W C21 H22 F N3 O4 S Cc1ccc(cc1....
39 6EOG Kd = 1.6 uM BKK C20 H17 Cl F3 N3 O4 S c1cc(cc(c1....
40 5E89 Kd = 0.014 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
41 4LBO Kd = 1.7 uM BGC GAL SIA n/a n/a
42 6QGF Kd = 0.00000145 M J0T C25 H26 F2 N6 O5 S c1cc(cc(c1....
43 6I76 Kd = 8.5 uM H5N C21 H18 F4 N6 O4 S Cc1ccc(cc1....
44 2NMO Kd = 260 uM GAL BGC n/a n/a
45 3AYC Kd = 57 uM GAL NGA GAL BGC SIA n/a n/a
46 4JCK Kd = 4.3 mM 1LL C12 H22 O10 S C([C@@H]1[....
47 5NFA Kd = 5.6 uM 8VQ C24 H36 N2 O12 CC(=O)N[C@....
48 4LBK Kd = 0.32 uM GAL NAG GAL BGC n/a n/a
49 5OAX Kd = 12 nM 9Q5 C30 H30 F3 N3 O11 S c1cc(cc(c1....
50 4RL7 - LAT C12 H22 O11 C([C@@H]1[....
51 6QLO Kd = 92 uM J5E C21 H21 F2 N3 O4 S Cc1ccc(cc1....
52 3AYD Kd = 65 uM NPO A2G GAL n/a n/a
53 4LBN Kd = 0.65 uM GLC GAL NAG GAL n/a n/a
54 6I75 Kd = 23 uM H5T C21 H19 F4 N3 O5 S Cc1ccc(cc1....
70% Homology Family (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 420 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 6QLQ Kd = 31 uM J4E C21 H22 F N3 O4 S Cc1ccc(cc1....
4 1A3K - GAL NAG n/a n/a
5 3T1M Kd = 0.91 mM DQT C23 H27 N O7 Cc1ccc(cc1....
6 6RHM - J1E C25 H26 F2 N6 O5 S c1cc(cc(c1....
7 4LBL Kd = 11 uM BGC SIA GAL n/a n/a
8 6I77 Kd = 11 uM H5Q C21 H20 F4 N4 O4 S Cc1ccc(cc1....
9 2NMN Kd = 260 uM GAL BGC n/a n/a
10 4R9B - LAT C12 H22 O11 C([C@@H]1[....
11 6RHL - J0T C25 H26 F2 N6 O5 S c1cc(cc(c1....
12 2NN8 Kd = 260 uM LAT C12 H22 O11 C([C@@H]1[....
13 6QLP Kd = 22 uM J3Q C21 H20 F3 N3 O4 S Cc1ccc(cc1....
14 4JC1 Kd = 50 uM TDG C12 H22 O10 S C([C@@H]1[....
15 4R9A - LAT C12 H22 O11 C([C@@H]1[....
16 6QLS Kd = 15 uM HRK C20 H27 N3 O9 S c1ccc(cc1)....
17 5EXO - 5SY C19 H22 O9 CC(=O)O[C@....
18 5ODY Kd = 7.5 nM 9SK C30 H28 F5 N3 O11 S c1cc(c(c2c....
19 5E88 Kd = 0.065 uM 5KT C24 H28 N6 O8 S3 c1cscc1c2c....
20 4R9D - LAT C12 H22 O11 C([C@@H]1[....
21 6QLR Kd = 8.8 uM J4N C21 H21 F2 N3 O4 S Cc1ccc(cc1....
22 1KJL Kd = 67 uM GAL NAG n/a n/a
23 6QLU Kd = 5.2 uM J62 C22 H24 F N3 O4 S Cc1ccc(cc1....
24 3T1L Kd = 0.55 mM MQT C17 H22 O8 Cc1ccc(cc1....
25 2XG3 Kd = 18.2 uM UNU GAL NAG n/a n/a
26 4LBJ Kd = 0.39 uM GAL NAG GAL BGC n/a n/a
27 6QLN Kd = 88 uM J5Q C21 H22 F N3 O4 S Cc1ccc(cc1....
28 4R9C - LAT C12 H22 O11 C([C@@H]1[....
29 6I74 Kd = 3.4 uM H5Z C21 H18 F5 N3 O4 S Cc1ccc(cc1....
30 3ZSJ Kd = 231 uM LAT C12 H22 O11 C([C@@H]1[....
31 4LBM Kd = 0.97 uM BGC GAL NAG GAL n/a n/a
32 1KJR Kd = 0.88 uM BEK GAL NAG n/a n/a
33 6EOL Kd = 0.037 uM BKH C20 H16 Cl2 F3 N3 O4 S c1cc(c(cc1....
34 6I78 Kd = 18 uM H5H C22 H22 F4 N4 O4 S Cc1ccc(cc1....
35 6QGE Kd = 0.00000145 M J1E C25 H26 F2 N6 O5 S c1cc(cc(c1....
36 6G0V Kd = 166 uM EGZ C18 H25 N O13 S C1[C@H](NC....
37 3AYE - LAT C12 H22 O11 C([C@@H]1[....
38 6QLT Kd = 23 uM J5W C21 H22 F N3 O4 S Cc1ccc(cc1....
39 6EOG Kd = 1.6 uM BKK C20 H17 Cl F3 N3 O4 S c1cc(cc(c1....
40 5E89 Kd = 0.014 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
41 4LBO Kd = 1.7 uM BGC GAL SIA n/a n/a
42 6QGF Kd = 0.00000145 M J0T C25 H26 F2 N6 O5 S c1cc(cc(c1....
43 6I76 Kd = 8.5 uM H5N C21 H18 F4 N6 O4 S Cc1ccc(cc1....
44 2NMO Kd = 260 uM GAL BGC n/a n/a
45 3AYC Kd = 57 uM GAL NGA GAL BGC SIA n/a n/a
46 4JCK Kd = 4.3 mM 1LL C12 H22 O10 S C([C@@H]1[....
47 5NFA Kd = 5.6 uM 8VQ C24 H36 N2 O12 CC(=O)N[C@....
48 4LBK Kd = 0.32 uM GAL NAG GAL BGC n/a n/a
49 5OAX Kd = 12 nM 9Q5 C30 H30 F3 N3 O11 S c1cc(cc(c1....
50 4RL7 - LAT C12 H22 O11 C([C@@H]1[....
51 6QLO Kd = 92 uM J5E C21 H21 F2 N3 O4 S Cc1ccc(cc1....
52 3AYD Kd = 65 uM NPO A2G GAL n/a n/a
53 4LBN Kd = 0.65 uM GLC GAL NAG GAL n/a n/a
54 6I75 Kd = 23 uM H5T C21 H19 F4 N3 O5 S Cc1ccc(cc1....
55 4XBN Kd = 93 uM GAL NAG n/a n/a
56 5H9R Kd = 0.84 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
57 5H9P Kd = 0.068 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
58 6FOF - LAT C12 H22 O11 C([C@@H]1[....
59 5NFB Kd = 0.77 uM 8VT C30 H40 N2 O13 CC(=O)N[C@....
60 5NF7 Kd = 37.5 uM 8VZ C16 H28 N2 O11 CC(=O)N[C@....
50% Homology Family (127)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 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 6QLQ Kd = 31 uM J4E C21 H22 F N3 O4 S Cc1ccc(cc1....
4 1A3K - GAL NAG n/a n/a
5 3T1M Kd = 0.91 mM DQT C23 H27 N O7 Cc1ccc(cc1....
6 6RHM - J1E C25 H26 F2 N6 O5 S c1cc(cc(c1....
7 4LBL Kd = 11 uM BGC SIA GAL n/a n/a
8 6I77 Kd = 11 uM H5Q C21 H20 F4 N4 O4 S Cc1ccc(cc1....
9 2NMN Kd = 260 uM GAL BGC n/a n/a
10 4R9B - LAT C12 H22 O11 C([C@@H]1[....
11 6RHL - J0T C25 H26 F2 N6 O5 S c1cc(cc(c1....
12 2NN8 Kd = 260 uM LAT C12 H22 O11 C([C@@H]1[....
13 6QLP Kd = 22 uM J3Q C21 H20 F3 N3 O4 S Cc1ccc(cc1....
14 4JC1 Kd = 50 uM TDG C12 H22 O10 S C([C@@H]1[....
15 4R9A - LAT C12 H22 O11 C([C@@H]1[....
16 6QLS Kd = 15 uM HRK C20 H27 N3 O9 S c1ccc(cc1)....
17 5EXO - 5SY C19 H22 O9 CC(=O)O[C@....
18 5ODY Kd = 7.5 nM 9SK C30 H28 F5 N3 O11 S c1cc(c(c2c....
19 5E88 Kd = 0.065 uM 5KT C24 H28 N6 O8 S3 c1cscc1c2c....
20 4R9D - LAT C12 H22 O11 C([C@@H]1[....
21 6QLR Kd = 8.8 uM J4N C21 H21 F2 N3 O4 S Cc1ccc(cc1....
22 1KJL Kd = 67 uM GAL NAG n/a n/a
23 6QLU Kd = 5.2 uM J62 C22 H24 F N3 O4 S Cc1ccc(cc1....
24 3T1L Kd = 0.55 mM MQT C17 H22 O8 Cc1ccc(cc1....
25 2XG3 Kd = 18.2 uM UNU GAL NAG n/a n/a
26 4LBJ Kd = 0.39 uM GAL NAG GAL BGC n/a n/a
27 6QLN Kd = 88 uM J5Q C21 H22 F N3 O4 S Cc1ccc(cc1....
28 4R9C - LAT C12 H22 O11 C([C@@H]1[....
29 6I74 Kd = 3.4 uM H5Z C21 H18 F5 N3 O4 S Cc1ccc(cc1....
30 3ZSJ Kd = 231 uM LAT C12 H22 O11 C([C@@H]1[....
31 4LBM Kd = 0.97 uM BGC GAL NAG GAL n/a n/a
32 1KJR Kd = 0.88 uM BEK GAL NAG n/a n/a
33 6EOL Kd = 0.037 uM BKH C20 H16 Cl2 F3 N3 O4 S c1cc(c(cc1....
34 6I78 Kd = 18 uM H5H C22 H22 F4 N4 O4 S Cc1ccc(cc1....
35 6QGE Kd = 0.00000145 M J1E C25 H26 F2 N6 O5 S c1cc(cc(c1....
36 6G0V Kd = 166 uM EGZ C18 H25 N O13 S C1[C@H](NC....
37 3AYE - LAT C12 H22 O11 C([C@@H]1[....
38 6QLT Kd = 23 uM J5W C21 H22 F N3 O4 S Cc1ccc(cc1....
39 6EOG Kd = 1.6 uM BKK C20 H17 Cl F3 N3 O4 S c1cc(cc(c1....
40 5E89 Kd = 0.014 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
41 4LBO Kd = 1.7 uM BGC GAL SIA n/a n/a
42 6QGF Kd = 0.00000145 M J0T C25 H26 F2 N6 O5 S c1cc(cc(c1....
43 6I76 Kd = 8.5 uM H5N C21 H18 F4 N6 O4 S Cc1ccc(cc1....
44 2NMO Kd = 260 uM GAL BGC n/a n/a
45 3AYC Kd = 57 uM GAL NGA GAL BGC SIA n/a n/a
46 4JCK Kd = 4.3 mM 1LL C12 H22 O10 S C([C@@H]1[....
47 5NFA Kd = 5.6 uM 8VQ C24 H36 N2 O12 CC(=O)N[C@....
48 4LBK Kd = 0.32 uM GAL NAG GAL BGC n/a n/a
49 5OAX Kd = 12 nM 9Q5 C30 H30 F3 N3 O11 S c1cc(cc(c1....
50 4RL7 - LAT C12 H22 O11 C([C@@H]1[....
51 6QLO Kd = 92 uM J5E C21 H21 F2 N3 O4 S Cc1ccc(cc1....
52 3AYD Kd = 65 uM NPO A2G GAL n/a n/a
53 4LBN Kd = 0.65 uM GLC GAL NAG GAL n/a n/a
54 6I75 Kd = 23 uM H5T C21 H19 F4 N3 O5 S Cc1ccc(cc1....
55 1G86 - NEQ C6 H7 N O2 CCN1C(=O)C....
56 1QKQ - MAN C6 H12 O6 C([C@@H]1[....
57 1HDK - PMB C6 H5 Hg O3 S c1cc(ccc1S....
58 6QRN - RIP C5 H10 O5 C1[C@H]([C....
59 2D6N - GAL NAG n/a n/a
60 2D6M - LBT C12 H22 O11 C([C@@H]1[....
61 2D6O - NAG GAL GAL NAG n/a n/a
62 4XBN Kd = 93 uM GAL NAG n/a n/a
63 5H9R Kd = 0.84 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
64 5H9P Kd = 0.068 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
65 5DG2 - GAL GLC n/a n/a
66 5EWS - GAL BGC n/a n/a
67 5NM1 - LBT C12 H22 O11 C([C@@H]1[....
68 5NLD - LBT C12 H22 O11 C([C@@H]1[....
69 5NMJ - LBT C12 H22 O11 C([C@@H]1[....
70 5NLH - LBT C12 H22 O11 C([C@@H]1[....
71 5NLE - LBT C12 H22 O11 C([C@@H]1[....
72 4XBL Kd = 340 uM GAL NAG n/a n/a
73 4Y24 Kd = 0.22 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
74 3T2T - MQT C17 H22 O8 Cc1ccc(cc1....
75 3OY8 Kd = 220 uM GAL GCO n/a n/a
76 2EAL - GAL NGA A2G n/a n/a
77 2ZHL Kd = 3 uM NAG GAL GAL NAG n/a n/a
78 2ZHK Kd = 3 uM NAG GAL GAL NAG n/a n/a
79 2ZHN - NAG GAL NAG GAL GAL NAG n/a n/a
80 2ZHM - NAG GAL GAL NAG GAL n/a n/a
81 2EAK - LBT C12 H22 O11 C([C@@H]1[....
82 3WLU - LSE C18 H36 O10 Se Si C[Si](C)(C....
83 5H9S Kd = 87 uM TGZ C20 H26 F N3 O9 S c1cc(cc(c1....
84 5H9Q Kd = 38 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
85 4XBQ Kd = 270 uM GAL NAG n/a n/a
86 6A62 - LAT C12 H22 O11 C([C@@H]1[....
87 6A64 - LAT C12 H22 O11 C([C@@H]1[....
88 6A63 - LAT C12 H22 O11 C([C@@H]1[....
89 5T7S Kd = 3.1 uM LBT C12 H22 O11 C([C@@H]1[....
90 4BMB Ka = 13000 M^-1 LAT C12 H22 O11 C([C@@H]1[....
91 5T7I Kd = 0.33 uM LAT NAG GAL n/a n/a
92 3VKO - SIA GAL NAG n/a n/a
93 4BME Ka = 13000 M^-1 LBT C12 H22 O11 C([C@@H]1[....
94 5T7T Kd = 2.1 uM GAL NAG n/a n/a
95 3I8T Kd = 600 uM LBT C12 H22 O11 C([C@@H]1[....
96 3WV6 - GAL BGC n/a n/a
97 3NV2 - GAL NDG n/a n/a
98 3NV4 - SIA GAL BGC n/a n/a
99 3NV3 - GAL NAG MAN n/a n/a
100 3WUD Kd = 41 uM GLC GAL n/a n/a
101 3GAL - 1GN C6 H13 N O5 C([C@@H]1[....
102 4UW6 - VV7 C69 H77 N20 O39 c1c(cc(cc1....
103 2GAL - GAL C6 H12 O6 C([C@@H]1[....
104 4GAL - GAL BGC n/a n/a
105 4UW3 - 50G C31 H50 N10 O18 c1c(nnn1[C....
106 4UW4 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
107 3ZXE Kd = 450 uM PGZ C22 H28 N O8 P S Cc1ccc(cc1....
108 5GAL - NAG GAL n/a n/a
109 4UW5 - 4S0 C49 H80 N10 O33 c1c(nnn1[C....
110 1A78 - TDG C12 H22 O10 S C([C@@H]1[....
111 5DUW Kd = 510 uM 5GO C12 H22 O14 S C([C@@H]1[....
112 5DUV Kd = 1300 uM LAT C12 H22 O11 C([C@@H]1[....
113 5DUX Kd = 380 uM LAT FUC n/a n/a
114 4WVV - LBT C12 H22 O11 C([C@@H]1[....
115 4WVW - SLT C23 H39 N O19 CC(=O)N[C@....
116 4YLZ Kd = 270 uM LAT NAG GAL n/a n/a
117 5CBL - LAT C12 H22 O11 C([C@@H]1[....
118 4YM0 Kd = 510 uM LAT NAG GAL n/a n/a
119 4YM2 Kd = 1400 uM SGA BGC n/a n/a
120 4YM3 Kd = 1900 uM LAT C12 H22 O11 C([C@@H]1[....
121 4YM1 Kd = 580 uM LAT FUC n/a n/a
122 1IS4 - LAT C12 H22 O11 C([C@@H]1[....
123 1WLD - GAL BGC n/a n/a
124 6FOF - LAT C12 H22 O11 C([C@@H]1[....
125 5NFB Kd = 0.77 uM 8VT C30 H40 N2 O13 CC(=O)N[C@....
126 5NF7 Kd = 37.5 uM 8VZ C16 H28 N2 O11 CC(=O)N[C@....
127 1SLA - NAG MAN GAL BMA NAG MAN NAG GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL BGC; Similar ligands found: 356
No: Ligand ECFP6 Tc MDL keys Tc
1 LAT 1 1
2 N9S 1 1
3 GAL BGC 1 1
4 GLC GAL 1 1
5 CBI 1 1
6 MAL 1 1
7 B2G 1 1
8 BGC GAL 1 1
9 BGC BMA 1 1
10 CBK 1 1
11 BMA BMA 1 1
12 BMA GAL 1 1
13 MAB 1 1
14 LBT 1 1
15 MT7 0.909091 1
16 GLC BGC BGC BGC BGC 0.909091 1
17 MAN MAN BMA BMA BMA BMA 0.909091 1
18 BGC BGC BGC BGC 0.909091 1
19 B4G 0.909091 1
20 GLC BGC BGC BGC BGC BGC 0.909091 1
21 CE6 0.909091 1
22 BMA MAN BMA 0.909091 1
23 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
24 MLR 0.909091 1
25 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
26 GLC BGC BGC BGC 0.909091 1
27 MAN BMA BMA BMA BMA 0.909091 1
28 BGC GLC GLC 0.909091 1
29 CTT 0.909091 1
30 DXI 0.909091 1
31 MAN BMA BMA 0.909091 1
32 BMA BMA BMA BMA BMA 0.909091 1
33 GLC GAL GAL 0.909091 1
34 BGC BGC BGC GLC 0.909091 1
35 GLA GAL BGC 0.909091 1
36 BMA BMA BMA BMA BMA BMA 0.909091 1
37 BGC GLC GLC GLC GLC 0.909091 1
38 BGC BGC BGC 0.909091 1
39 CE8 0.909091 1
40 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
41 CT3 0.909091 1
42 BMA BMA BMA 0.909091 1
43 CTR 0.909091 1
44 GAL GAL GAL 0.909091 1
45 GLC BGC GLC 0.909091 1
46 CEX 0.909091 1
47 BGC BGC GLC 0.909091 1
48 GLC GLC GLC GLC GLC 0.909091 1
49 BGC GLC GLC GLC 0.909091 1
50 GLA GAL GLC 0.909091 1
51 MAN BMA BMA BMA BMA BMA 0.909091 1
52 GLC BGC BGC 0.909091 1
53 CEY 0.909091 1
54 MTT 0.909091 1
55 CE5 0.909091 1
56 GLA GAL GAL 0.816327 1
57 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
58 BMA BMA GLA BMA BMA 0.689655 1
59 BMA BMA BMA GLA BMA 0.689655 1
60 XYT 0.685185 0.767442
61 LAT GLA 0.680851 1
62 GLC GLC GLC BGC 0.672414 1
63 U63 0.647059 0.891892
64 MMA MAN 0.64 0.942857
65 DR5 0.64 0.942857
66 GLA EGA 0.634615 0.942857
67 BMA BMA MAN GLA GLA 0.62069 1
68 GAL FUC 0.615385 0.941176
69 BMA MAN 0.612245 1
70 BGC GLC 0.612245 1
71 2M4 0.612245 1
72 LAT FUC 0.610169 0.970588
73 FUC GAL GLC 0.610169 0.970588
74 8B7 0.610169 0.970588
75 BGC GAL FUC 0.610169 0.970588
76 GLC GAL FUC 0.610169 0.970588
77 FUC GAL GLC BGC 0.610169 0.970588
78 BGC GLA GAL FUC 0.609375 0.970588
79 BQZ 0.608696 0.909091
80 GAL NAG GAL GLC 0.606061 0.733333
81 BGC GAL NAG GAL 0.606061 0.733333
82 BMA BMA BMA BMA 0.603448 0.941176
83 GLC BGC 0.6 1
84 LB2 0.6 1
85 GLA GLA 0.6 1
86 GLC GLC 0.6 1
87 M3M 0.6 1
88 NGR 0.6 1
89 GLA GAL 0.6 1
90 MAN GLC 0.6 1
91 MAL EDO 0.592593 0.942857
92 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
93 GLC GAL NAG GAL 0.588235 0.733333
94 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
95 BGC BGC BGC XYS GAL 0.588235 0.942857
96 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
97 LAT NAG GAL 0.588235 0.733333
98 NGA GAL BGC 0.587302 0.733333
99 TRE 0.581395 1
100 ABD 0.57971 0.75
101 NLC 0.578947 0.733333
102 GAL NDG 0.578947 0.733333
103 5GO 0.578947 0.66
104 DEL 0.574074 0.970588
105 MVP 0.571429 0.733333
106 GAL NGA GLA BGC GAL 0.571429 0.733333
107 GAL BGC BGC XYS 0.569231 0.942857
108 SGA BGC 0.568965 0.66
109 BGC BGC 0.566038 0.914286
110 GLC GLC XYP 0.557377 1
111 NAG GAL BGC 0.552239 0.733333
112 BGC BGC XYS BGC 0.552239 0.942857
113 GLA GAL BGC 5VQ 0.551724 0.891892
114 G2F BGC BGC BGC BGC BGC 0.55 0.868421
115 GLA MBG 0.54902 0.942857
116 GLC G6D ACI GLC 0.547945 0.733333
117 GLC G6D ADH GLC 0.547945 0.733333
118 GLC ACI G6D BGC 0.547945 0.733333
119 GLC ACI GLD GLC 0.547945 0.733333
120 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
121 BGC BGC BGC GLC BGC BGC 0.545455 1
122 GLC GLC GLC 0.545455 1
123 GLC GLC GLC GLC 0.545455 1
124 BGC BGC BGC BGC BGC BGC 0.545455 1
125 GLC GLC BGC 0.545455 1
126 BMA BMA MAN 0.535714 1
127 MAN MAN BMA 0.535714 1
128 NGA GLA GAL BGC 0.535211 0.733333
129 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
130 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
131 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
132 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
133 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
134 XYS BGC BGC XYS BGC XYS BGC 0.528571 0.942857
135 XYS BGC BGC XYS BGC BGC XYS 0.528571 0.942857
136 BGC BGC BGC BGC BGC BGC BGC 0.526316 1
137 BGC BGC BGC BGC BGC 0.526316 1
138 BMA MAN MAN MAN 0.525424 1
139 FUC GLC BGC GAL 0.52459 0.970588
140 GLA GAL GLC NBU 0.52459 0.846154
141 FUC BGC GAL 0.52459 0.970588
142 GLC ACI GLD GAL 0.519481 0.702128
143 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.733333
144 GLC ACI G6D GLC 0.519481 0.702128
145 BGC BGC BGC FRU 0.516129 0.868421
146 DOM 0.509091 0.942857
147 G3I 0.507937 0.767442
148 G2I 0.507937 0.767442
149 LMT 0.507937 0.785714
150 OXZ BGC BGC 0.507937 0.6875
151 DMU 0.507937 0.785714
152 UMQ 0.507937 0.785714
153 LMU 0.507937 0.785714
154 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
155 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
156 XYS GAL GLC BGC BGC XYS BGC XYS 0.506329 0.942857
157 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
158 GAL XYS BGC BGC XYS XYS BGC GAL BGC 0.506329 0.942857
159 GAL XYS XYS BGC BGC XYS BGC BGC 0.506329 0.942857
160 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
161 XYS BGC GAL BGC BGC BGC XYS GAL XYS 0.506329 0.942857
162 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
163 SOR GLC GLC 0.5 0.970588
164 GAL BGC NAG NAG GAL GAL 0.5 0.6875
165 MAN BMA NAG 0.5 0.733333
166 GLA GAL NAG 0.5 0.733333
167 8VZ 0.5 0.673469
168 FMO 0.5 0.868421
169 GLC GLC DAF BGC 0.493827 0.702128
170 XYS BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC 0.493827 0.942857
171 GLC GLC ACI G6D GLC GLC 0.493827 0.702128
172 GLC GLC AGL HMC GLC 0.493827 0.702128
173 ACR GLC GLC GLC 0.493827 0.702128
174 AAO 0.493827 0.733333
175 ARE 0.493827 0.733333
176 GLC GLC XYS 0.492308 0.970588
177 MAN MAN MAN 0.491803 1
178 MAN BMA MAN 0.491803 1
179 CGC 0.491525 0.941176
180 5QP 0.491228 0.885714
181 GAL MBG 0.490909 0.942857
182 RZM 0.490909 0.688889
183 M13 0.490909 0.942857
184 MDM 0.490909 0.942857
185 MAN MMA 0.490909 0.942857
186 BGC BGC XYS XYS GAL 0.486842 0.942857
187 GAL NAG MAN 0.485294 0.733333
188 GLO GLC GLC GLC 0.484848 0.970588
189 SOR GLC GLC GLC 0.484848 0.970588
190 6UZ 0.484848 0.846154
191 LAG 0.484848 0.6
192 GAL BGC NAG GAL 0.478873 0.733333
193 GTM BGC BGC 0.477612 0.868421
194 10M 0.477612 0.733333
195 MAN MAN BMA MAN 0.476923 1
196 MAN MAN MAN MAN 0.476923 1
197 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
198 NAG BMA 0.47619 0.653061
199 GAL GAL SO4 0.47619 0.66
200 GAL NAG 0.47541 0.733333
201 NAG GAL 0.47541 0.733333
202 GAL NGA 0.47541 0.733333
203 GAL A2G 0.47541 0.733333
204 MAN MAN 0.472727 1
205 GAL GAL 0.472727 1
206 GLA GLC 0.472727 1
207 GLA BGC 0.472727 1
208 GAL GLC 0.472727 1
209 MAN BMA 0.472727 1
210 GLA BMA 0.472727 1
211 LAK 0.472727 1
212 BGC GLA 0.472727 1
213 MLB 0.472727 1
214 BMA GLA 0.472727 1
215 NPJ 0.470588 0.622642
216 GLC NAG GAL GAL FUC 0.469136 0.717391
217 FUC GAL NAG GAL BGC 0.469136 0.717391
218 GAL GLC NAG GAL FUC 0.469136 0.717391
219 MAN MAN MAN GLC 0.46875 1
220 ABL 0.466667 0.702128
221 FRU GAL 0.465517 0.842105
222 BMA FRU 0.465517 0.842105
223 W9T 0.465517 0.842105
224 DAF GLC 0.464789 0.733333
225 DAF BGC 0.464789 0.733333
226 TM6 0.463768 0.916667
227 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
228 LSE 0.462687 0.6875
229 BGC BGC XYS BGC XYS XYS GAL 0.4625 0.942857
230 FUC GLA GLA 0.460317 0.970588
231 FUC GAL GLA 0.460317 0.970588
232 GLA GAL FUC 0.460317 0.970588
233 GAL GAL FUC 0.460317 0.970588
234 GLA GLA FUC 0.460317 0.970588
235 BGC OXZ 0.457627 0.666667
236 IFM BGC 0.457627 0.711111
237 BMA IFM 0.457627 0.711111
238 9MR 0.457627 0.744186
239 IFM BMA 0.457627 0.711111
240 GLO GLC GLC 0.457143 0.942857
241 RCB 0.457143 0.622642
242 GLC GLC GLC GLC BGC 0.45614 1
243 BMA MAN MAN 0.45614 1
244 GLC GLC GLC GLC GLC BGC 0.45614 1
245 BGC 0.454545 0.848485
246 MAN 0.454545 0.848485
247 BMA 0.454545 0.848485
248 ALL 0.454545 0.848485
249 WOO 0.454545 0.848485
250 GLA 0.454545 0.848485
251 GIV 0.454545 0.848485
252 GAL 0.454545 0.848485
253 GXL 0.454545 0.848485
254 GLC 0.454545 0.848485
255 ACI GLD GLC GAL 0.453333 0.733333
256 DAF GLC GLC 0.453333 0.733333
257 DAF BGC GLC 0.453333 0.733333
258 A2G GAL 0.453125 0.653061
259 MGL SGC BGC BGC 0.450704 0.868421
260 MGL SGC GLC GLC 0.450704 0.868421
261 CM5 0.450704 0.891892
262 MAN MAN MAN BMA MAN 0.450704 1
263 BGC BGC SGC MGL 0.450704 0.868421
264 MAN MNM 0.45 0.702128
265 A2G GAL BGC FUC 0.45 0.717391
266 NOJ GLC 0.45 0.695652
267 A2G GAL GLC FUC 0.45 0.717391
268 GLC DMJ 0.45 0.695652
269 NOY BGC 0.45 0.702128
270 BMA MAN MAN MAN MAN 0.449275 1
271 PA1 GCS 0.448276 0.767442
272 GCS GCS 0.448276 0.767442
273 M5S 0.447761 1
274 MAN BMA MAN MAN MAN 0.447761 1
275 GAC 0.447368 0.767442
276 TXT 0.447368 0.767442
277 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
278 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
279 NAG GAL GAL NAG 0.445946 0.6875
280 NAG GAL GAL NAG GAL 0.445946 0.6875
281 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
282 QV4 0.444444 0.733333
283 MA4 0.444444 0.891892
284 MAN DGO 0.440678 0.914286
285 3SA 0.44 0.733333
286 RIB 0.439024 0.742857
287 Z6J 0.439024 0.742857
288 GLC GLC GLC PO4 SGC GLC 0.439024 0.66
289 BDR 0.439024 0.742857
290 AHR 0.439024 0.742857
291 32O 0.439024 0.742857
292 FUB 0.439024 0.742857
293 T6P 0.438596 0.767442
294 GYP 0.4375 0.857143
295 AMG 0.4375 0.857143
296 MMA 0.4375 0.857143
297 MBG 0.4375 0.857143
298 GDQ GLC 0.435484 0.666667
299 MAN G63 0.435484 0.653061
300 4MU BGC BGC 0.434211 0.767442
301 ISX 0.433333 0.761905
302 MAN 7D1 0.431034 0.888889
303 QPS 0.43038 0.733333
304 ACR 0.43038 0.733333
305 4MU BGC BGC BGC BGC 0.428571 0.767442
306 GAL MGC 0.428571 0.702128
307 FUC NAG GAL 0.422535 0.717391
308 FUC NDG GAL 0.422535 0.717391
309 GAL NDG FUC 0.422535 0.717391
310 HMC AGL GLC 0.421053 0.717391
311 KHO 0.421053 0.888889
312 GCS GCS GCS GCS GCS 0.419355 0.767442
313 GCS GCS GCS GCS GCS GCS GCS GCS 0.419355 0.804878
314 GCS GCS GCS 0.419355 0.767442
315 GCS GCS GCS GCS GCS GCS 0.419355 0.767442
316 GAL NAG GAL 0.418919 0.702128
317 NGT GAL 0.41791 0.66
318 GAL NGT 0.41791 0.66
319 P3M 0.41791 0.767442
320 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
321 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
322 GLC FRU 0.416667 0.842105
323 BTU 0.416667 0.842105
324 TUR 0.416667 0.842105
325 GLA MAN ABE 0.414286 0.916667
326 NAG NDG BMA 0.413333 0.634615
327 NAG NAG BMA 0.413333 0.634615
328 ACR GLC 0.4125 0.702128
329 ACR GLC GLC GLC GLC 0.4125 0.702128
330 FUB AHR AHR 0.410714 0.857143
331 AHR AHR AHR AHR AHR AHR 0.410714 0.857143
332 GLF B8D 0.409836 0.775
333 VAM 0.409836 0.868421
334 AC1 GLC AC1 BGC 0.409639 0.702128
335 DAF GLC DAF GLC GLC 0.409639 0.702128
336 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.702128
337 ACI GLD GLC ACI G6D BGC 0.409639 0.702128
338 ACI G6D GLC ACI G6D BGC 0.409639 0.702128
339 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.702128
340 MAN MMA MAN 0.409091 0.942857
341 FUB AHR 0.407407 0.857143
342 AHR AHR 0.407407 0.857143
343 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.653061
344 4U0 0.406593 0.66
345 GLA MAN RAM ABE 0.405063 0.891892
346 BGC BGC SSG PIH 0.405063 0.767442
347 GL1 0.403846 0.697674
348 M1P 0.403846 0.697674
349 G1P 0.403846 0.697674
350 XGP 0.403846 0.697674
351 GLC IFM 0.403226 0.727273
352 MAN IFM 0.403226 0.727273
353 MAN MAN MAN MAN MAN MAN MAN 0.402597 1
354 XZZ BGC BGC 0.402439 0.702128
355 ACG 0.402299 0.695652
356 FUC GAL 0.4 0.941176
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: 2
This union binding pocket(no: 1) in the query (biounit: 5ody.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3M3E GAL A2G NPO 28.9855
2 3M3E GAL A2G NPO 28.9855
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