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 N N-prime - DIACETYLLACTOSEDIAMINE SUGAR 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 510 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 391 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 298 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: 107
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 NAG NAG NDG NAG 0.589744 0.813559
5 NAG NAG NDG 0.589744 0.813559
6 NAG NAG NAG NAG NDG 0.589744 0.813559
7 NAG NAG NAG NDG 0.589744 0.813559
8 NDG NAG NAG 0.589744 0.813559
9 CTO 0.589744 0.813559
10 NAG NAG NAG NAG NAG NAG 0.589744 0.813559
11 NDG NAG NAG NAG 0.589744 0.813559
12 NAG NAG NAG NAG NAG 0.589744 0.813559
13 NDG NAG NAG NDG 0.589744 0.813559
14 NAG NAG NAG NAG NAG NAG NAG NAG 0.589744 0.813559
15 NDG NAG 0.578947 0.827586
16 CBS CBS 0.578947 0.827586
17 NAG GDL 0.578947 0.827586
18 CBS 0.578947 0.827586
19 NAG NAG NAG NAG 0.541176 0.790323
20 NAG NAG NAG 0.541176 0.790323
21 6Y2 0.533333 0.768116
22 NGA GAL BGC 0.53012 0.775862
23 NOJ NAG NAG NAG 0.516854 0.809524
24 Z4S NAG NAG 0.516854 0.761905
25 NOJ NAG NAG 0.516854 0.822581
26 NAG AMU NAG AMV 0.5 0.816667
27 NAG NAG NGT 0.5 0.720588
28 NAG NAG 0.493976 0.786885
29 NAG NDG 0.493976 0.786885
30 GUM 0.489796 0.727273
31 NAG GAL NAG 0.488636 0.827586
32 NGA GAL 0.487805 0.733333
33 NAG GAL 0.4875 0.775862
34 GAL NAG 0.4875 0.775862
35 NAA NAA AMI 0.484536 0.684932
36 AO3 0.484536 0.684932
37 NAG MBG 0.481481 0.779661
38 NAG NGA 0.481481 0.827586
39 NAG A2G 0.481481 0.827586
40 UMG 0.48 0.727273
41 NAG GAL BGC 0.47191 0.775862
42 NAG MAN 0.46988 0.779661
43 NGT NAG 0.466667 0.705882
44 NGA GLA GAL BGC 0.462366 0.775862
45 3QL 0.45977 0.774194
46 SN5 SN5 0.457831 0.693548
47 MAN MAN NAG 0.455556 0.75
48 NAG MAN BMA 0.454545 0.775862
49 GAL NAG MAN 0.454545 0.775862
50 TCG 0.450549 0.731343
51 NAG MAN MAN 0.450549 0.775862
52 GAL NAG GAL 0.450549 0.75
53 3YW 0.45 0.711864
54 NAG MAN MMA 0.449438 0.779661
55 GAL NGA A2G 0.448276 0.827586
56 MAG 0.445946 0.728814
57 2F8 0.445946 0.728814
58 NAG NAG BMA 0.445652 0.803279
59 NAG AMU 0.445652 0.830508
60 NAG MUB 0.445652 0.830508
61 NAG NDG BMA 0.445652 0.803279
62 NG1 0.441558 0.656716
63 GN1 0.441558 0.656716
64 NAG NM9 0.43956 0.786885
65 NAG NAG BMA MAN NAG 0.439252 0.790323
66 NAG BMA NAG MAN MAN NAG NAG 0.439252 0.813559
67 MMA MAN NAG MAN NAG NAG 0.438776 0.8
68 LAT NAG GAL 0.43617 0.775862
69 GLC GAL NAG GAL 0.43617 0.775862
70 JXD 0.435185 0.657895
71 NAG MAN BMA MAN NAG GAL 0.433962 0.827586
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 GAL NAG A2G 0.43 0.813559
76 A2G GAL FUC 0.428571 0.793103
77 FUC GLA A2G 0.428571 0.793103
78 NGA GAL FUC 0.428571 0.793103
79 FUC GAL A2G 0.428571 0.793103
80 A2G GLA FUC 0.428571 0.793103
81 BGA 0.425743 0.712121
82 NAG GAL GAL NAG GAL 0.425532 0.827586
83 GAL NAG GAL NAG GAL NAG 0.425532 0.813559
84 NAG GAL GAL NAG 0.425532 0.827586
85 BMA Z4Y NAG 0.42268 0.762712
86 GAL NAG GAL BGC 0.42268 0.75
87 NAG NAG BMA MAN MAN NAG GAL NAG 0.419643 0.813559
88 TNR 0.416667 0.766667
89 A2G GAL BGC FUC 0.415842 0.793103
90 NDG BDP BDP NPO NDG 0.414414 0.768116
91 NAG NAG BMA MAN MAN NAG NAG 0.412281 0.790323
92 NA1 NAA AMI 0.411215 0.675676
93 NAG MAN BMA NDG MAN NAG GAL 0.410714 0.813559
94 GAL NDG 0.409639 0.775862
95 NLC 0.409639 0.775862
96 NDG GAL 0.409639 0.775862
97 8VZ 0.409639 0.813559
98 NAG AMU ALA DGL 0.409091 0.836066
99 LEC NGA 0.408163 0.768116
100 NAG AH0 0.408163 0.777778
101 SN5 SN5 NGT 0.408163 0.637681
102 NAG NAG BMA MAN 0.405941 0.803279
103 NAG GDL PHJ 0.401869 0.75
104 FUC C4W NAG BMA MAN NAG 0.401709 0.803279
105 NAG NAG BMA MAN MAN 0.4 0.827586
106 FUC C4W NAG BMA 0.4 0.803279
107 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 with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 3nbc.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZGR NGA GAL 8.78378
2 3AJ6 NGA 16.2162
3 4OUJ LBT 16.2162
4 4LO2 GAL BGC 23.1293
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