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Receptor
PDB id Resolution Class Description Source Keywords
1A3K 2.1 Å NON-ENZYME: BINDING X-RAY CRYSTAL STRUCTURE OF THE HUMAN GALECTIN-3 CARBOHYDRATE RECOGNITION DOMAIN (CRD) AT 2.1 ANGSTROM RESOLUTION HOMO SAPIENS GALECTIN GALAPTIN LECTIN IGE-BINDING PROTEIN
Ref.: X-RAY CRYSTAL STRUCTURE OF THE HUMAN GALECTIN-3 CAR RECOGNITION DOMAIN AT 2.1-A RESOLUTION. J.BIOL.CHEM. V. 273 13047 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL NAG A:500;
Valid;
none;
submit data
383.35 n/a O=C(N...
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: GAL NAG; Similar ligands found: 168
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAL 1 1
2 GAL NAG 1 1
3 GAL NGA A2G 0.881356 0.9375
4 NAG MAN BMA 0.822581 1
5 NAG NGA 0.693548 0.9375
6 NAG MBG 0.693548 0.957447
7 NAG A2G 0.693548 0.9375
8 NAG GAL BGC 0.657143 1
9 NAG GAL GAL NAG GAL 0.652778 0.9375
10 NGA GAL 0.646154 0.93617
11 NAG GDL 0.640625 0.9375
12 NDG NAG 0.640625 0.9375
13 CBS 0.640625 0.9375
14 CBS CBS 0.640625 0.9375
15 NGA GLA GAL BGC 0.635135 1
16 NAG GAL NAG 0.633803 0.9375
17 NAG MAN MAN MAN NAG 0.631579 0.9375
18 NGA GAL BGC 0.623188 1
19 FUC BGC GAL NAG 0.615385 0.978261
20 A2G MBG 0.606061 0.957447
21 MBG A2G 0.606061 0.957447
22 NDG NAG NAG 0.602941 0.918367
23 NAG NDG 0.602941 0.846154
24 NAG NAG NAG NAG NDG 0.602941 0.918367
25 NDG NAG NAG NAG 0.602941 0.918367
26 NAG NAG NDG NAG 0.602941 0.918367
27 CTO 0.602941 0.918367
28 NAG NAG 0.602941 0.846154
29 NAG NAG NAG NAG NAG 0.602941 0.918367
30 NAG NAG NAG NDG 0.602941 0.918367
31 NAG NAG NDG 0.602941 0.918367
32 NDG NAG NAG NDG 0.602941 0.918367
33 NAG NAG NAG NAG NAG NAG NAG NAG 0.602941 0.918367
34 NAG NAG NAG NAG NAG NAG 0.602941 0.918367
35 A2G GLA FUC 0.597222 0.978261
36 FUC GLA A2G 0.597222 0.978261
37 FUC GAL A2G 0.597222 0.978261
38 A2G GAL FUC 0.597222 0.978261
39 NGA GAL FUC 0.597222 0.978261
40 NAG MAN MMA 0.583333 0.957447
41 3QL 0.577465 0.865385
42 MAN MAN NAG 0.567568 0.957447
43 GLA NAG GAL FUC 0.564103 0.978261
44 GAL NAG GAL FUC 0.564103 0.978261
45 NAG MAN MAN 0.56 1
46 M3M 0.559322 0.733333
47 MAG 0.559322 0.893617
48 2F8 0.559322 0.893617
49 MAN GLC 0.559322 0.733333
50 NGR 0.559322 0.733333
51 LB2 0.559322 0.733333
52 BGC FUC GAL FUC A2G 0.548781 0.957447
53 GLC FUC GAL FUC A2G 0.548781 0.957447
54 NAG NAG NAG NAG 0.546667 0.849057
55 NAG NAG NAG 0.546667 0.849057
56 NAG MAN BMA MAN NAG GAL 0.539326 0.9375
57 FUC GAL NAG GAL FUC 0.536585 0.957447
58 NAG AMU 0.532468 0.9
59 AH0 NAG 0.532468 0.833333
60 NAG MUB 0.532468 0.9
61 NAG MAN 0.528571 0.957447
62 GN1 0.52381 0.75
63 NG1 0.52381 0.75
64 Z4S NAG NAG 0.518987 0.849057
65 LAT NAG GAL 0.518987 1
66 GLC GAL NAG GAL 0.518987 1
67 BMA Z4Y NAG 0.518519 0.978261
68 BGC BGC BGC GLC BGC BGC 0.515625 0.733333
69 GLC BGC BGC BGC BGC BGC BGC 0.515625 0.733333
70 NAG BDP NAG BDP NAG BDP NAG 0.511905 0.9
71 3YW 0.507463 0.913043
72 MA8 0.507042 0.843137
73 NAG NM9 0.506494 0.882353
74 GAL NAG GAL NAG GAL NAG 0.506329 0.918367
75 NAG GAL GAL NAG 0.506329 0.9375
76 A2G GAL BGC FUC 0.505882 0.978261
77 NAG GAL 2NA 0.505495 0.882353
78 NOJ NAG NAG NAG 0.5 0.803571
79 A2G GAL 0.5 1
80 GAL NGA 0.5 1
81 GAL A2G 0.5 1
82 NOJ NAG NAG 0.5 0.818182
83 NGT NAG 0.5 0.775862
84 GAL NAG GAL GLC 0.493671 1
85 BGC GAL NAG GAL 0.493671 1
86 A2G GAL NAG FUC 0.488372 0.918367
87 FUC GAL NAG A2G 0.488372 0.918367
88 GAL NGA GLA BGC GAL 0.487805 1
89 DLD 0.4875 0.775862
90 TNR 0.485714 0.86
91 A2G GAL NAG FUC GAL GLC 0.484211 0.918367
92 GLC GAL NAG GAL FUC A2G 0.484211 0.918367
93 FUC BGC GAL NAG GAL 0.483146 0.978261
94 FHY 0.482353 0.849057
95 NAG AH0 0.481928 0.833333
96 GAL NAG GAL BGC 0.481928 0.957447
97 LEC NGA 0.481928 0.703125
98 BMA MAN MAN MAN 0.478261 0.733333
99 NAG GAL FUC FUC A2G 0.477273 0.918367
100 FUC GAL NAG A2G FUC 0.477273 0.918367
101 NAG A2G GAL 0.475 0.9375
102 NDG 0.474576 0.888889
103 BM3 0.474576 0.888889
104 HSQ 0.474576 0.888889
105 NGA 0.474576 0.888889
106 NAG 0.474576 0.888889
107 A2G 0.474576 0.888889
108 SN5 SN5 0.472222 0.803922
109 GAL NAG MAN 0.467532 1
110 P3M 0.465753 0.6
111 GYU 0.464789 0.767857
112 6Y2 0.464286 0.703125
113 NAG NAG NGT 0.464286 0.762712
114 GAL NAG GAL 0.4625 0.957447
115 GLA GAL NAG 0.460526 1
116 MAN BMA NAG 0.460526 1
117 SIA GAL NGA 0.458333 0.865385
118 NLC 0.457143 1
119 GAL NDG 0.457143 1
120 NDG GAL 0.457143 1
121 WZ5 0.455556 0.957447
122 BGA 0.449438 0.818182
123 MMA MAN NAG MAN NAG NAG 0.448276 0.9
124 NAG AMU NAG AMV 0.448276 0.882353
125 NAG BMA NAG MAN MAN NAG NAG 0.447917 0.918367
126 TCG 0.444444 0.775862
127 3PV 0.443182 0.9
128 NAG NAG BMA MAN 0.443182 0.865385
129 NAG NDG BMA 0.439024 0.865385
130 NAG NAG BMA 0.439024 0.865385
131 GAL NAG SIA GAL 0.438095 0.849057
132 GAL MGC 0.43662 0.957447
133 AO3 0.433333 0.692308
134 NAA NAA AMI 0.433333 0.692308
135 HD4 0.43038 0.741379
136 NAG MAN BMA NDG MAN NAG GAL 0.43 0.918367
137 CGC 0.428571 0.733333
138 6ZC 0.428571 0.68254
139 LEC 0.428571 0.68254
140 SIA NAG GAL GAL 0.427184 0.849057
141 NAG NAG BMA MAN MAN NAG GAL NAG 0.425743 0.918367
142 M5G 0.425743 0.9375
143 57S 0.425 0.741379
144 GLC NAG GAL GAL FUC 0.423913 0.978261
145 GAL GLC NAG GAL FUC 0.423913 0.978261
146 FUC GAL NAG GAL BGC 0.423913 0.978261
147 GUM 0.423913 0.803571
148 ALA NAG AH0 DAL 0.421053 0.818182
149 DR3 0.419753 0.978261
150 NAG BMA 0.418919 0.897959
151 NAG NAG BMA MAN NAG 0.418367 0.849057
152 GYT 0.417722 0.762712
153 1GN ACY GAL ACY 1GN BGC GAL BGC 0.417582 0.9375
154 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.417582 0.9375
155 NAG NAG BMA MAN MAN NAG NAG 0.417476 0.849057
156 8VZ 0.416667 0.918367
157 SNG 0.415385 0.816327
158 UMG 0.414894 0.803571
159 AMU 0.414286 0.87234
160 NAG AMU ALA DGL 0.414141 0.833333
161 MAN BMA MAN 0.410959 0.733333
162 NAG MU2 0.41 0.818182
163 NAG GDL PHJ 0.40625 0.737705
164 NAG NAG BMA MAN MAN 0.404255 0.9375
165 NAG BDP 0.402597 0.916667
166 GLA GAL NAG FUC GAL GLC 0.402062 0.978261
167 GC4 NAG 0.4 0.916667
168 JXD 0.4 0.661765
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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