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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: 321
This union binding pocket(no: 1) in the query (biounit: 5nfb.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5FPX GLY SER SER HIS HIS HIS HIS HIS None
2 1TT8 PHB None
3 2E56 MYR None
4 4WN5 MVC None
5 3DJV C3P None
6 4ZSI GLP None
7 1OGZ EQU None
8 5N2F 8HW None
9 6D6L FY4 None
10 2Z6C FMN None
11 5BV6 35G None
12 6CDG PRO GLY LEU TRP LYS SER 1.1976
13 3RG9 WRA 1.70455
14 1UUO ORO 1.70455
15 1UUO FMN 1.70455
16 1UUO BRF 1.70455
17 4J7Q B7N 1.70455
18 3MF2 AMP 1.7341
19 5ANU 58T 1.89873
20 3QRC SCR 1.91083
21 3IS2 FAD 1.94805
22 6GNO XDI 2.22222
23 1KQW RTL 2.23881
24 5EZU MYR 2.24719
25 5JBX COA 2.27273
26 5HCF BGC 2.27273
27 1Z03 OCH 2.27273
28 3AMN CBI 2.27273
29 3AMN CBK 2.27273
30 3BXO UPP 2.27273
31 1QY1 PRZ 2.29885
32 1GT4 UNA 2.51572
33 5TBM 79A 2.6087
34 5ML3 DL3 2.68456
35 5AIG VPR 2.84091
36 5UR6 8KM 2.84091
37 5NKB 8ZT 2.84091
38 6MPT C30 2.84091
39 5UC4 83S 2.84091
40 1YMT DR9 2.84091
41 4GCZ FMN 2.84091
42 5H2D ERG 2.84091
43 2R5V HHH 2.84091
44 3FW3 ETS 2.84091
45 4I54 1C1 2.84091
46 3ACL 3F1 2.84091
47 5UIJ TYD 2.84091
48 4IAW LIZ 2.84091
49 2YG2 S1P 2.90698
50 2CIG 1DG 3.14465
51 3ZO7 K6H 3.19149
52 2C49 ADN 3.31126
53 5YBN AKG 3.40909
54 4J36 FAD 3.40909
55 4MP8 MLI 3.40909
56 4MP8 NAD 3.40909
57 3PFG TLO 3.40909
58 3PFG SAM 3.40909
59 3UN3 G16 3.40909
60 4J36 1HR 3.40909
61 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 3.40909
62 2XXP DSL 3.40909
63 3THR C2F 3.40909
64 5IH9 6BF 3.40909
65 1YKD CMP 3.40909
66 5H5A 6OU 3.40909
67 3DNT ATP 3.40909
68 5OKL PAM 3.40909
69 2VFT SOR 3.40909
70 1KRR ACO 3.40909
71 4G31 0WH 3.40909
72 2J7T 274 3.40909
73 3FW4 CAQ 3.40909
74 2FZH DH1 3.40909
75 3JU6 ANP 3.40909
76 5DQ8 FLF 3.40909
77 1OFD AKG 3.40909
78 4OFG PCG 3.47222
79 4R38 RBF 3.57143
80 5NTP 98E 3.78151
81 6EWZ APC 3.79747
82 2HKA C3S 3.84615
83 1KGI T4A 3.93701
84 1GP6 DH2 3.97727
85 1GP6 QUE 3.97727
86 1GP6 SIN 3.97727
87 3WDX BGC BGC GLC 3.97727
88 3H7J PPY 3.97727
89 2CM4 RCL 3.97727
90 5OX6 A1Z 3.97727
91 3WDX BGC BGC BGC 3.97727
92 5EW9 5VC 3.97727
93 4YZC STU 3.97727
94 2A1L PCW 3.97727
95 3FON VAL ASN ASP ILE PHE GLU ALA ILE 3.97727
96 4KYS VIB 3.97727
97 5N87 N66 3.97727
98 5YU3 NAD 3.97727
99 5YU3 PRO 3.97727
100 4S3F 43W 3.97727
101 5EH0 5NW 3.97727
102 4CLI 5P8 3.97727
103 1EX7 5GP 3.97727
104 4QA8 PJZ 3.97727
105 1J3R 6PG 3.97727
106 4P42 PEE 3.97727
107 6C1S EFV 3.97727
108 4TWL ASC 3.97727
109 3MHA Z69 3.97727
110 1LBF 137 3.97727
111 6GBX S77 3.97727
112 2XK9 XK9 3.97727
113 5GNX BGC 3.97727
114 6GR0 F8W 4.02299
115 3TAY MN0 4.29448
116 6GG9 FMN 4.32099
117 4MNS 2AX 4.40252
118 4NG2 OHN 4.42478
119 6ESN BWE 4.49438
120 5DRB 5FJ 4.54545
121 2IUW AKG 4.54545
122 3RJY GLC 4.54545
123 1ZB6 DIN 4.54545
124 1ZB6 GST 4.54545
125 3AKK ADP 4.54545
126 5C3R HMU 4.54545
127 5C3R AKG 4.54545
128 5O9W AKG 4.54545
129 5ZM4 AKG 4.54545
130 5ZM4 9FU 4.54545
131 3W68 VIV 4.54545
132 4QXB OGA 4.54545
133 1R5L VIV 4.54545
134 3SCM LGN 4.54545
135 5X7Q GLC GLC GLC GLC 4.54545
136 5X7Q GLC GLC GLC GLC GLC 4.54545
137 5FKP 6UL 4.54545
138 2F3R G5P 4.54545
139 1DMY AZM 4.54545
140 5J3Z 6FQ 4.54545
141 1EZ4 NAD 4.54545
142 5AMV ADA ADA ADA 4.54545
143 6AIX A3P 4.54545
144 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 4.60993
145 3MTX PGT 4.63576
146 5IXG OTP 4.73373
147 5DKK FMN 4.82759
148 2J9C ATP 5.04202
149 1SQI 869 5.08906
150 1DZK PRZ 5.09554
151 1UNB PN1 5.11364
152 1UNB AKG 5.11364
153 4ONA UW1 5.11364
154 3OZ2 OZ2 5.11364
155 3OGV PTQ 5.11364
156 3OJI PYV 5.11364
157 4QRH 0O2 5.11364
158 3P7N FMN 5.11364
159 3M3R BCD 5.11364
160 5BU3 4W9 5.11364
161 1OJK GLC BGC 5.11364
162 3OYZ ACO 5.11364
163 1OJJ GLC GAL 5.11364
164 1PX8 XYP 5.11364
165 3ZQ9 NOY BGC 5.11364
166 1N5S ADL 5.35714
167 1ZM1 BGC BGC BGC 5.39419
168 4H2V AMP 5.45455
169 4P5F AR6 5.48303
170 4IEN GDP 5.52147
171 6E08 NAP 5.68182
172 6D61 4AA 5.68182
173 3PQB VGP 5.68182
174 4HSJ 6PC 5.68182
175 4WUP 3UF 5.68182
176 5Y72 DST 5.68182
177 2I74 MAN MAN MAN MAN 5.68182
178 3B1Q NOS 5.68182
179 3JRS A8S 5.68182
180 3B00 16A 5.68182
181 1Q79 3AT 5.68182
182 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 5.68182
183 5FP3 3JI 5.68182
184 1AJ0 PH2 5.68182
185 1AJ0 SAN 5.68182
186 4JH6 FCN 5.7971
187 4H2X G5A 5.82524
188 5SVV FMN 5.83942
189 1N1D C2G 6.20155
190 5ENQ 5QE 6.25
191 5U98 1KX 6.25
192 3Q8G PEE 6.25
193 4HIA FMN 6.25
194 2BWA GLC BGC 6.25
195 3AXX CBI 6.25
196 4YGF AZM 6.25
197 1VA6 ADP 6.25
198 1VA6 P2S 6.25
199 1QIN GIP 6.25
200 5OCG 9R5 6.25
201 4ZU5 THM 6.25
202 5A61 3PO 6.25
203 12AS AMP 6.25
204 5HA0 LTD 6.41026
205 1OPB RET 6.71642
206 4ZU4 4TG 6.75676
207 6DO3 PRO PRO PRO MET ALA GLY GLY 6.81818
208 5DEY 59T 6.81818
209 5W10 CMP 6.81818
210 3QT6 2P0 6.81818
211 2OVW CBI 6.81818
212 5AYT L6Y 6.91824
213 1NWW HPN 7.38255
214 4PU5 ANP 7.38636
215 5VC5 96M 7.38636
216 1UMZ BGC BGC XYS BGC XYS GAL 7.38636
217 3ILR SGN IXD 7.38636
218 3ILR IXD 7.38636
219 3ILR SGN 7.38636
220 1URX AAL GAL AAL GLA 7.38636
221 2IV2 2MD 7.38636
222 1TOI HCI 7.38636
223 1ODM ASV 7.95455
224 4WVO 3UZ 7.95455
225 1M15 ADP 7.95455
226 1M15 ARG 7.95455
227 3E8N VRA 7.95455
228 3E8N ATP 7.95455
229 3K4Z CBI 7.95455
230 3HDY FAD 7.95455
231 4LA7 A1O 7.95455
232 4OCT AKG 7.95455
233 3HDY FDA 7.95455
234 3HDY GDU 7.95455
235 3E2M E2M 7.95455
236 1MH5 HAL 7.95455
237 5NBW 8SK 7.95455
238 4L4J NAG NAG BMA MAN NAG 8.52273
239 4HWS 1B3 8.52273
240 4P8K 38C 8.52273
241 4P8K FAD 8.52273
242 2GU8 796 8.52273
243 4NV7 COA 8.52273
244 4WOE ADP 8.52273
245 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 8.52273
246 1OPK P16 8.52273
247 4LZJ 22H 8.52273
248 6EOZ 58K 8.52273
249 6EOZ AKG 8.52273
250 2BOS GLA GAL GLC 8.82353
251 2BOS GLA GAL 8.82353
252 3E85 BSU 8.86076
253 5A65 TPP 9.09091
254 3QUZ QUV 9.09091
255 3KDJ A8S 9.09091
256 4U0W 16G 9.09091
257 4H6B 10X 9.09091
258 4D1J DGJ 9.09091
259 4H6B 10Y 9.09091
260 5EQU 5R6 9.09091
261 1GQG DCD 9.09091
262 3UMV FAD 9.09091
263 3PTQ NFG 9.09091
264 4BG4 ADP 9.09091
265 1N9L FMN 9.17431
266 5FXD H7Y 9.65909
267 2OBD 2OB 9.65909
268 2CET PGI 9.65909
269 2GJ5 VD3 9.87654
270 3ZMR GLO BGC BGC XYS BGC XYS XYS 10.2273
271 1QM5 GLC GLC GLC PO4 SGC GLC 10.2273
272 1QM5 PLP 10.2273
273 5KJZ PCG 10.6667
274 1U0A BGC BGC BGC BGC 10.7955
275 4WW8 VD9 10.7955
276 2WSA MYA 10.7955
277 2WSA 646 10.7955
278 3PG7 PTY 10.7955
279 3FAL LO2 10.7955
280 6FE1 V14 10.7955
281 4D5B ACX 11.3636
282 2AG4 OLA 11.3636
283 2AG4 LP3 11.3636
284 1EM6 CP4 11.3636
285 5DS8 GLY 5CT GLY ALA 11.3636
286 4QDC ASD 11.3636
287 5DUB GLY 5GG GLY ALA 11.3636
288 2DIO EOD 11.3636
289 4NTK ZSP 11.5702
290 3VQ2 LP4 LP5 MYR DAO 11.8056
291 2WA4 069 11.9318
292 5NEA 8V8 11.9318
293 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 11.9318
294 1QD1 FON 11.9318
295 1PZO CBT 11.9318
296 4QCK ASD 11.9318
297 3EEB IHP 12.5
298 5VNF VAL THR SER VAL VAL 12.7389
299 1ST0 GTG 13.0682
300 3H5N ATP 13.0682
301 2ZYI STE 13.0682
302 4IGH 1EA 13.6364
303 4IGH ORO 13.6364
304 4IGH FMN 13.6364
305 5OO5 UUA 13.7097
306 5KEW 6SB 13.8298
307 1MAR NAP 14.7727
308 1MAR ZST 14.7727
309 5LJB RTL 14.8148
310 5GP0 GPP 15.4362
311 2Z77 HE7 15.8273
312 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 17.0455
313 1I82 BGC BGC 17.0455
314 4J6W CTP 17.0732
315 5N0L ILE 17.6101
316 5JSP DQY 18.408
317 5X1M DHB 18.75
318 5EPQ OLA 21.5909
319 3M3E GAL A2G NPO 24.8447
320 2J3M PRI 31.25
321 3VV1 GAL FUC 37.5
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