Receptor
PDB id Resolution Class Description Source Keywords
5NF7 1.59 Å NON-ENZYME: BINDING STRUCTURE OF GALECTIN-3 CRD IN COMPLEX WITH COMPOUND 1 HOMO SAPIENS GALECTIN-3 CRD CATION-PI INTERACTIONS SUGAR BINDING PROTEI
Ref.: BIOPHYSICAL AND STRUCTURAL CHARACTERIZATION OF MONO/DI-ARYLATED LACTOSAMINE DERIVATIVES INTERACTIO HUMAN GALECTIN-3. BIOCHEM. BIOPHYS. RES. V. 489 281 2017 COMMUN.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8VZ A:301;
Valid;
none;
Kd = 37.5 uM
424.4 C16 H28 N2 O11 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5NFB 1.59 Å NON-ENZYME: BINDING STRUCTURE OF GALECTIN-3 CRD IN COMPLEX WITH COMPOUND 4 HOMO SAPIENS GALECTIN-3 CRD CATION-PI INTERACTIONS SUGAR BINDING PROTEI
Ref.: BIOPHYSICAL AND STRUCTURAL CHARACTERIZATION OF MONO/DI-ARYLATED LACTOSAMINE DERIVATIVES INTERACTIO HUMAN GALECTIN-3. BIOCHEM. BIOPHYS. RES. V. 489 281 2017 COMMUN.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5NFB Kd = 0.77 uM 8VT C30 H40 N2 O13 CC(=O)N[C@....
2 5NF7 Kd = 37.5 uM 8VZ C16 H28 N2 O11 CC(=O)N[C@....
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: 8VZ; Similar ligands found: 238
No: Ligand ECFP6 Tc MDL keys Tc
1 8VZ 1 1
2 NDG GAL 0.694915 0.918367
3 GAL NDG 0.694915 0.918367
4 NLC 0.694915 0.918367
5 8VW 0.615385 0.924528
6 MAN BMA NAG 0.602941 0.918367
7 GLA GAL NAG 0.602941 0.918367
8 GAL NAG MAN 0.585714 0.918367
9 GAL NGA 0.5625 0.918367
10 GAL MGC 0.5625 0.92
11 GAL A2G 0.5625 0.918367
12 A2G GAL 0.5625 0.918367
13 NAG BMA 0.560606 0.830189
14 GAL NAG GAL 0.554054 0.882353
15 NAG NAG BMA 0.546667 0.90566
16 NAG NDG BMA 0.546667 0.90566
17 NAG GAL GAL NAG GAL 0.539474 0.979592
18 GAL NAG GAL NAG GAL NAG 0.539474 0.96
19 NAG GAL GAL NAG 0.539474 0.979592
20 GAL BGC NAG GAL 0.533333 0.918367
21 GLC GAL NAG GAL 0.532468 0.918367
22 LAT NAG GAL 0.532468 0.918367
23 G6S NAG 0.513514 0.707692
24 GAL NAG GAL BGC 0.5125 0.882353
25 8VQ 0.511628 0.924528
26 LAT GLA 0.508475 0.673469
27 DR5 0.508197 0.68
28 MMA MAN 0.508197 0.68
29 GAL NAG GAL GLC 0.506494 0.918367
30 BGC GAL NAG GAL 0.506494 0.918367
31 LBT 0.5 0.673469
32 B2G 0.5 0.673469
33 BMA GAL 0.5 0.673469
34 GAL BGC 0.5 0.673469
35 NAG FUC 0.5 0.897959
36 FUC NDG GAL 0.5 0.938776
37 LAT 0.5 0.673469
38 CBI 0.5 0.673469
39 N9S 0.5 0.673469
40 MAB 0.5 0.673469
41 BGC GAL 0.5 0.673469
42 MAL 0.5 0.673469
43 GLA GAL 0.5 0.673469
44 GLC GAL 0.5 0.673469
45 MAG FUC GAL 0.5 0.901961
46 CBK 0.5 0.673469
47 GLA GLA 0.5 0.673469
48 BGC BMA 0.5 0.673469
49 GAL NDG FUC 0.5 0.938776
50 GAL LOG 0.492958 0.810345
51 NAG GDL 0.492754 0.979592
52 NDG NAG 0.492754 0.979592
53 CBS CBS 0.492754 0.979592
54 CBS 0.492754 0.979592
55 NAG NAG BMA MAN 0.488095 0.90566
56 NGA GAL BGC 0.486486 0.918367
57 GAL NOK 0.486111 0.807018
58 GLA EGA 0.484375 0.68
59 GAL NGA GLA BGC GAL 0.481481 0.918367
60 NAG GAL NAG 0.480519 0.979592
61 NAG BMA MAN MAN MAN MAN 0.476744 0.918367
62 NAG GAL FUC 0.473684 0.938776
63 NDG GAL FUC 0.473684 0.938776
64 A2G SER GAL 0.473684 0.886792
65 NGA SER GAL 0.473684 0.886792
66 DR2 0.473684 0.938776
67 FUC GAL NAG 0.473684 0.938776
68 NBG 0.473684 0.816327
69 GAL SER A2G 0.473684 0.886792
70 GAL TNR 0.473684 0.886792
71 FUL GAL NAG 0.473684 0.938776
72 GAL NAG FUC 0.473684 0.938776
73 BQZ 0.473684 0.612245
74 FUC GAL NDG 0.473684 0.938776
75 TRE 0.471698 0.673469
76 BGC BGC BGC BGC 0.46875 0.673469
77 GLC BGC GLC 0.46875 0.673469
78 BGC GLC GLC GLC GLC 0.46875 0.673469
79 GAL FUC 0.46875 0.673469
80 GAL GAL GAL 0.46875 0.673469
81 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.46875 0.673469
82 GLC BGC BGC 0.46875 0.673469
83 B4G 0.46875 0.673469
84 CT3 0.46875 0.673469
85 GLA GAL GLC 0.46875 0.673469
86 BGC GLC GLC GLC 0.46875 0.673469
87 BGC BGC BGC BGC BGC BGC 0.46875 0.673469
88 CE8 0.46875 0.673469
89 DXI 0.46875 0.673469
90 MAN BMA BMA BMA BMA BMA 0.46875 0.673469
91 MT7 0.46875 0.673469
92 CEY 0.46875 0.673469
93 MTT 0.46875 0.673469
94 BGC BGC BGC 0.46875 0.673469
95 GLC GAL GAL 0.46875 0.673469
96 BGC GLC GLC 0.46875 0.673469
97 U63 0.46875 0.622642
98 GLA GAL BGC 0.46875 0.673469
99 GLC BGC BGC BGC 0.46875 0.673469
100 GLC BGC BGC BGC BGC BGC 0.46875 0.673469
101 CEX 0.46875 0.673469
102 GLC GLC GLC GLC GLC 0.46875 0.673469
103 BMA MAN BMA 0.46875 0.673469
104 CE5 0.46875 0.673469
105 CE6 0.46875 0.673469
106 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.46875 0.673469
107 BGC GLC GLC GLC GLC GLC GLC 0.46875 0.673469
108 BMA BMA BMA 0.46875 0.673469
109 CTR 0.46875 0.673469
110 BGC BGC GLC 0.46875 0.673469
111 MAN BMA BMA BMA BMA 0.46875 0.673469
112 BGC BGC BGC BGC BGC 0.46875 0.673469
113 MAN BMA BMA 0.46875 0.673469
114 BMA BMA BMA BMA BMA BMA 0.46875 0.673469
115 MLR 0.46875 0.673469
116 CTT 0.46875 0.673469
117 GLC BGC BGC BGC BGC 0.46875 0.673469
118 BMA BMA BMA BMA BMA 0.46875 0.673469
119 GLC GLC BGC 0.46875 0.673469
120 BGC BGC BGC GLC 0.46875 0.673469
121 MAN MAN BMA BMA BMA BMA 0.46875 0.673469
122 NAG NAG NDG 0.465753 0.96
123 NDG NAG NAG NDG 0.465753 0.96
124 NDG NAG NAG NAG 0.465753 0.96
125 CTO 0.465753 0.96
126 NAG NAG NAG NAG NAG NAG NAG NAG 0.465753 0.96
127 NAG NAG NAG NAG NDG 0.465753 0.96
128 NAG NAG NAG NDG 0.465753 0.96
129 NDG NAG NAG 0.465753 0.96
130 NAG NAG NDG NAG 0.465753 0.96
131 NAG NAG NAG NAG NAG 0.465753 0.96
132 NAG NAG NAG NAG NAG NAG 0.465753 0.96
133 MBG A2G 0.464789 0.92
134 A2G MBG 0.464789 0.92
135 CGC 0.462687 0.673469
136 GAL A2G THR 0.461538 0.923077
137 NAG GAL BGC 0.461538 0.918367
138 NAG NAG BMA MAN MAN 0.460674 0.979592
139 FUC C4W NAG BMA 0.460674 0.942308
140 FUC BGC GAL NAG GAL 0.460674 0.938776
141 GLA MBG 0.459016 0.68
142 GAL A2G NPO 0.45679 0.723077
143 NPO A2G GAL 0.45679 0.723077
144 GAL A2G MBN 0.455696 0.882353
145 MAL EDO 0.454545 0.647059
146 BGC BGC 0.453125 0.627451
147 BMA BMA 0.453125 0.627451
148 MAG 0.451613 0.86
149 2F8 0.451613 0.86
150 NGA GLA GAL BGC 0.451219 0.918367
151 NAG A2G GAL 0.45 0.979592
152 GLA GAL BGC 5VQ 0.449275 0.653846
153 FUC NAG GAL 0.448718 0.867925
154 NG1 0.446154 0.728814
155 GN1 0.446154 0.728814
156 GLA NAG GAL FUC 0.445783 0.938776
157 GAL NAG GAL FUC 0.445783 0.938776
158 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.445652 0.918367
159 GAL GC2 0.443038 0.69697
160 M13 0.4375 0.68
161 GAL MBG 0.4375 0.68
162 MDM 0.4375 0.68
163 NBG BGC BGC XYS BGC XYS XYS 0.436782 0.882353
164 NAG MAN BMA MAN NAG GAL 0.43617 0.979592
165 2M4 0.435484 0.673469
166 GLA GAL GAL 0.434783 0.673469
167 UNU GAL NAG 0.433735 0.921569
168 MAN BMA NAG NAG MAN NAG GAL GAL 0.431579 0.96
169 NAG MAN MAN MAN NAG GAL NAG GAL 0.431579 0.96
170 DOM 0.430769 0.647059
171 G2F BGC BGC BGC BGC BGC 0.430556 0.611111
172 FUC BGC GAL 0.430556 0.693878
173 GLA GAL GLC NBU 0.430556 0.62963
174 NGR 0.428571 0.673469
175 MAN GLC 0.428571 0.673469
176 M3M 0.428571 0.673469
177 LB2 0.428571 0.673469
178 FMO 0.426471 0.611111
179 FUC NAG GLA GAL 0.425287 0.92
180 NAG NAG NAG NAG 0.425 0.888889
181 NAG NAG NAG 0.425 0.888889
182 CG3 A2G GAL 0.423529 0.712121
183 Z4S NAG NAG 0.421687 0.888889
184 ABL 0.42029 0.811321
185 GAL NDG FUC FUC 0.419753 0.92
186 TCG 0.419753 0.813559
187 BDZ 0.419753 0.92
188 FUC NAG GAL FUC 0.419753 0.92
189 GAL NAG FUC FUC 0.419753 0.92
190 FUC GAL NAG FUC 0.419753 0.92
191 FUC NDG GAL FUC 0.419753 0.92
192 FUC GAL NDG FUC 0.419753 0.92
193 BCW 0.419753 0.92
194 NAG MAN 0.418919 0.92
195 GLC GLC XYP 0.418919 0.673469
196 FUC C4W NAG BMA MAN 0.418367 0.942308
197 GAL GLC NAG GAL FUC 0.417582 0.938776
198 FUC GAL NAG GAL BGC 0.417582 0.938776
199 GLC NAG GAL GAL FUC 0.417582 0.938776
200 ABD 0.416667 0.897959
201 NAG GAL 0.416667 0.918367
202 GAL NAG 0.416667 0.918367
203 RZM 0.415385 0.672727
204 SCG 0.414634 0.642857
205 DR3 0.4125 0.938776
206 BMA BMA MAN 0.411765 0.673469
207 MAN MAN BMA 0.411765 0.673469
208 NAG A2G 0.410959 0.979592
209 BGC BGC BGC BGC BGC BGC BGC BGC 0.410959 0.673469
210 NAG MBG 0.410959 0.92
211 NAG NGA 0.410959 0.979592
212 GLA GAL NAG FUC GAL GLC 0.410526 0.938776
213 3QL 0.410256 0.90566
214 8VT 0.41 0.907407
215 NAG MAN BMA NDG MAN NAG GAL 0.41 0.96
216 DLD 0.409639 0.813559
217 4RS 0.408451 0.648148
218 GLC GLC XYS 0.407895 0.693878
219 NAG NAG 0.407895 0.886792
220 NAG NDG 0.407895 0.886792
221 NAG NAG BMA BMA 0.406977 0.872727
222 M5G 0.405941 0.979592
223 NAG NAG BMA MAN MAN NAG GAL NAG 0.405941 0.96
224 MAN MNM 0.405797 0.777778
225 BGC BGC BGC FRU 0.405405 0.611111
226 HS2 0.405063 0.846154
227 NOJ NAG NAG 0.404762 0.857143
228 NOJ NAG NAG NAG 0.404762 0.842105
229 6UZ 0.402597 0.6
230 NGA GAL 0.4 0.862745
231 A2G GAL NAG FUC 0.4 0.96
232 G2I 0.4 0.703704
233 OXZ BGC BGC 0.4 0.644068
234 BGC GAL NAG GAL FUC FUC 0.4 0.92
235 FUC GAL NAG A2G 0.4 0.96
236 G3I 0.4 0.703704
237 GLC GAL NAG GAL FUC FUC 0.4 0.92
238 GLO GLC GLC 0.4 0.68
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5NFB; Ligand: 8VT; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5nfb.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3M3E GAL A2G NPO 24.8447
2 3VV1 GAL FUC 37.5
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