Receptor
PDB id Resolution Class Description Source Keywords
3NBE 1.86 Å NON-ENZYME: BINDING CLITOCYBE NEBULARIS RICIN B-LIKE LECTIN (CNL) IN COMPLEX WIT DIACETYLLACTOSEDIAMINE CLITOCYBE NEBULARIS CLITOCYBE NEBULARIS RICIN B-LIKE LECTIN NN-prime -DIACETYLLACTOSSUGAR BINDING PROTEIN
Ref.: BIVALENT CARBOHYDRATE BINDING IS REQUIRED FOR BIOLO ACTIVITY OF CLITOCYBE NEBULARIS LECTIN (CNL), THE N,N'-DIACETYLLACTOSEDIAMINE (GALNAC BETA 1-4GLCNAC, LACDINAC)-SPECIFIC LECTIN FROM BASIDIOMYCETE C. NEB J.BIOL.CHEM. V. 287 10602 2
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DLD A:580;
B:581;
Valid;
Valid;
none;
none;
submit data
493.466 C18 H31 N5 O11 CC(=O...
SO4 A:355;
B:356;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NBC 1.01 Å NON-ENZYME: BINDING CLITOCYBE NEBULARIS RICIN B-LIKE LECTIN (CNL) IN COMPLEX WIT CRYSTALLIZED AT PH 4.4 CLITOCYBE NEBULARIS CLITOCYBE NEBULARIS RICIN B-LIKE LECTIN LACTOSE SUGAR BINDPROTEIN
Ref.: BIVALENT CARBOHYDRATE BINDING IS REQUIRED FOR BIOLO ACTIVITY OF CLITOCYBE NEBULARIS LECTIN (CNL), THE N,N'-DIACETYLLACTOSEDIAMINE (GALNAC BETA 1-4GLCNAC, LACDINAC)-SPECIFIC LECTIN FROM BASIDIOMYCETE C. NEB J.BIOL.CHEM. V. 287 10602 2
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3NBE - DLD C18 H31 N5 O11 CC(=O)N[C@....
2 3NBC - LAT C12 H22 O11 C([C@@H]1[....
3 3NBD - LBT C12 H22 O11 C([C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3NBE - DLD C18 H31 N5 O11 CC(=O)N[C@....
2 3NBC - LAT C12 H22 O11 C([C@@H]1[....
3 3NBD - LBT C12 H22 O11 C([C@@H]1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3NBE - DLD C18 H31 N5 O11 CC(=O)N[C@....
2 3NBC - LAT C12 H22 O11 C([C@@H]1[....
3 3NBD - LBT C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DLD; Similar ligands found: 102
No: Ligand ECFP6 Tc MDL keys Tc
1 DLD 1 1
2 MBG A2G 0.592105 0.779661
3 A2G MBG 0.592105 0.779661
4 NDG NAG NAG NDG NAG 0.589744 0.813559
5 NAG NAG NAG NDG 0.589744 0.813559
6 NAG NAG NAG NAG NDG 0.589744 0.813559
7 NAG NAG NAG NAG NAG NAG NAG NAG 0.589744 0.813559
8 NAG NAG NAG NAG NAG 0.589744 0.813559
9 NAG NAG NAG NAG NAG NAG 0.589744 0.813559
10 NAG NAG NAG NAG NDG NAG 0.589744 0.813559
11 NAG NAG NAG NAG 0.589744 0.813559
12 NAG NAG NAG 0.589744 0.813559
13 NDG NAG NAG NAG 0.589744 0.813559
14 NAG NAG NDG 0.589744 0.813559
15 CTO 0.589744 0.813559
16 NDG NAG NAG 0.589744 0.813559
17 NDG NAG NAG NDG 0.589744 0.813559
18 NAG GDL 0.578947 0.827586
19 NAG NDG 0.578947 0.827586
20 CBS CBS 0.578947 0.827586
21 CBS 0.578947 0.827586
22 6Y2 0.533333 0.768116
23 NGA GAL BGC 0.53012 0.775862
24 NOJ NAG NAG 0.516854 0.836066
25 NOJ NAG NAG NAG 0.516854 0.822581
26 NAG NAG NGT 0.5 0.720588
27 NAG AMU NAG AMV 0.5 0.816667
28 NAG NAG NAG NAG NAG NAG NAG 0.494624 0.777778
29 NAG NAG 0.493976 0.786885
30 MAN NAG 0.493671 0.775862
31 GUM 0.489796 0.727273
32 NAG GAL NAG 0.488636 0.827586
33 NAG NGO 0.488372 0.774194
34 NDG NAG 0.487805 0.813559
35 GAL NAG 0.4875 0.775862
36 NGA GAL 0.4875 0.775862
37 NAG GAL 0.4875 0.775862
38 AO3 0.484536 0.684932
39 NAG MBG 0.481481 0.779661
40 NAG A2G 0.481481 0.827586
41 NAG NGA 0.481481 0.827586
42 UMG 0.48 0.727273
43 NAG GAL BGC 0.47191 0.775862
44 NAA NAA AMI 0.47 0.702703
45 NGT NAG 0.466667 0.705882
46 NGA GLA GAL BGC 0.462366 0.775862
47 3QL 0.45977 0.774194
48 SN5 SN5 0.457831 0.693548
49 MAN MAN NAG 0.455556 0.75
50 GAL NAG MAN 0.454545 0.775862
51 MAN NAG GAL 0.454545 0.775862
52 GAL NAG GAL 0.450549 0.75
53 NAG MAN MAN 0.450549 0.775862
54 NAG MAN BMA 0.450549 0.775862
55 TCG 0.450549 0.731343
56 CTO TMX 0.450549 0.731343
57 3YW 0.45 0.711864
58 NAG MAN MMA 0.449438 0.779661
59 MAG 0.445946 0.728814
60 2F8 0.445946 0.728814
61 NAG MUB 0.445652 0.830508
62 NAG NDG BMA 0.445652 0.803279
63 NAG NAG BMA 0.445652 0.803279
64 NAG AMU 0.445652 0.830508
65 GN1 0.441558 0.656716
66 NG1 0.441558 0.656716
67 NAG NM9 0.43956 0.786885
68 NAG NAG BMA MAN NAG 0.439252 0.790323
69 NAG BMA NAG MAN MAN NAG NAG 0.439252 0.813559
70 MMA MAN NAG MAN NAG NAG 0.438776 0.8
71 GLC GAL NAG GAL 0.43617 0.775862
72 NAG MAN MAN MAN NAG 0.43299 0.827586
73 AH0 NAG 0.430108 0.75
74 A2G GAL NAG FUC 0.43 0.813559
75 FUC GLA A2G 0.428571 0.793103
76 NGA GAL FUC 0.428571 0.793103
77 A2G GLA FUC 0.428571 0.793103
78 FUC GL0 A2G 0.428571 0.793103
79 A2G GAL FUC 0.428571 0.793103
80 FUC GAL A2G 0.428571 0.793103
81 BGA 0.425743 0.712121
82 GAL NAG GAL NAG GAL NAG 0.425532 0.813559
83 NAG GAL GAL NAG GAL 0.425532 0.827586
84 NAG GAL GAL NAG 0.425532 0.827586
85 TNR 0.416667 0.766667
86 A2G GAL BGC FUC 0.415842 0.793103
87 NDG BDP BDP NPO NDG 0.414414 0.768116
88 NAG NAG BMA MAN MAN NAG NAG 0.412281 0.790323
89 NA1 NAA AMI 0.411215 0.675676
90 NAG MAN BMA NDG MAN NAG GAL 0.410714 0.813559
91 NDG GAL 0.409639 0.775862
92 GAL NDG 0.409639 0.775862
93 8VZ 0.409639 0.813559
94 NLC 0.409639 0.775862
95 NAG AH0 0.408163 0.777778
96 LEC NGA 0.408163 0.768116
97 SN5 SN5 NGT 0.408163 0.637681
98 NAG NAG BMA MAN 0.405941 0.803279
99 NAG GDL PHJ 0.401869 0.75
100 MAN MAN NAG MAN NAG 0.4 0.827586
101 NAG NAG BMA MAN MAN 0.4 0.827586
102 GYU 0.4 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NBC; Ligand: LAT; Similar sites found: 50
This union binding pocket(no: 1) in the query (biounit: 3nbc.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2EV9 NAP 0.01519 0.42768 None
2 2EV9 SKM 0.01519 0.42768 None
3 1DCP HBI 0.008046 0.41969 None
4 2O4N TPV 0.02315 0.41487 None
5 1X92 M7P 0.01248 0.40855 None
6 5THQ NDP 0.01546 0.42627 2.02703
7 2X2T GAL NGA 0.00001034 0.56246 2.7027
8 5L0S UDP 0.01077 0.42259 2.7027
9 1KBJ FMN 0.03271 0.40436 2.7027
10 4N9Z V3L 0.0122 0.4091 3.37838
11 2IMW DDS 0.01616 0.40739 3.37838
12 5A3T MMK 0.03429 0.4072 3.37838
13 4N1T 2GD 0.03492 0.40803 4.05405
14 4OWK NGA 0.0000007586 0.62441 4.34783
15 4R33 SAH 0.03853 0.41095 4.72973
16 4R33 TRP 0.03853 0.41095 4.72973
17 4HZO COA 0.008986 0.41052 4.72973
18 3FUR Z12 0.01096 0.45221 5.40541
19 4HEE 14R 0.01128 0.42744 5.40541
20 5MW4 5JU 0.04153 0.41297 5.40541
21 3ZEU AGS 0.02099 0.40861 5.40541
22 4QJP V1F 0.029 0.40741 5.40541
23 1VCO GLN 0.004393 0.40387 5.40541
24 2ZX2 RAM 0.01025 0.40173 5.40541
25 5G5G MCN 0.03134 0.41695 6.08108
26 4Q0L V14 0.03332 0.40243 6.08108
27 1YBU APC 0.002379 0.45054 6.75676
28 2IBN I1N 0.007638 0.41157 6.75676
29 4S3R 7SA 0.0371 0.40831 6.75676
30 1RYA GDP 0.02303 0.41514 7.43243
31 4X5S AZM 0.008971 0.40429 7.43243
32 5ITZ GTP 0.02201 0.41495 7.87402
33 2HK9 SKM 0.002175 0.43234 8.10811
34 4CL6 7SB 0.01605 0.41898 8.10811
35 4ZGR NGA GAL 0.000000002808 0.73032 8.78378
36 4GLL NAD 0.04068 0.4048 8.78378
37 5VZ0 ADP 0.01916 0.40599 9.45946
38 1JP4 AMP 0.009933 0.42227 11.4865
39 1MWH GTG 0.01044 0.41594 11.4865
40 5FI4 5XV 0.02785 0.40575 11.4865
41 5DXT 5H5 0.02229 0.40528 11.4865
42 5XG5 A2G 0.0002451 0.46329 11.7241
43 3DOO SKM 0.002202 0.43203 12.1622
44 2D24 XYS XYS 0.00000008053 0.6639 14.8649
45 1KNM LAT 0.00000001512 0.71553 15.3846
46 3AJ6 NGA 0.000000001458 0.75538 16.2162
47 4OUJ LBT 0.000000004963 0.73621 16.2162
48 1P4C FMN 0.01668 0.42724 20.2703
49 4LO2 GAL BGC 0.000000005237 0.7491 23.1293
50 4G9N NGA 0.00000009804 0.65972 44.7552
Feedback