Receptor
PDB id Resolution Class Description Source Keywords
4L4J 1.92 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF FC-FRAGMENT OF HUMAN IGG2-SIGMA ANTIBOD HOMO SAPIENS IMMUNOGLOBULIN FOLD IMMUNE SYSTEM
Ref.: AN ENGINEERED FC VARIANT OF AN IGG ELIMINATES ALL I EFFECTOR FUNCTIONS VIA STRUCTURAL PERTURBATIONS. METHODS V. 65 114 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG BMA MAN NAG D:1;
 Valid;
 none;
 submit data
951.879 n/a O=C(N...
NAG NAG FUC BMA MAN MAN NAG C:1;
 Invalid;
 none;
 submit data
n/a n/a
GOL A:508;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4L4J 1.92 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF FC-FRAGMENT OF HUMAN IGG2-SIGMA ANTIBOD HOMO SAPIENS IMMUNOGLOBULIN FOLD IMMUNE SYSTEM
Ref.: AN ENGINEERED FC VARIANT OF AN IGG ELIMINATES ALL I EFFECTOR FUNCTIONS VIA STRUCTURAL PERTURBATIONS. METHODS V. 65 114 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 4L4J - NAG NAG BMA MAN NAG n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 1H3T - BMA C6 H12 O6 C([C@@H]1[....
2 6BHQ - NAG NAG FUL BMA MAN MAN NAG GAL n/a n/a
3 4L4J - NAG NAG BMA MAN NAG n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 1H3T - BMA C6 H12 O6 C([C@@H]1[....
2 6BHQ - NAG NAG FUL BMA MAN MAN NAG GAL n/a n/a
3 4L4J - NAG NAG BMA MAN NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG NAG BMA MAN NAG; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NAG BMA MAN NAG 1 1
2 NAG GAL NAG 0.807692 0.979592
3 NAG NAG BMA MAN MAN NAG GAL NAG 0.797872 1
4 NDG BMA MAN MAN NAG GAL NAG 0.787234 1
5 NAG GAL NAG GAL NAG GAL 0.756098 1
6 NAG GAL NAG GAL 0.756098 0.979592
7 NAG NAG NAG NAG NAG 0.74026 1
8 NAG NAG NAG NAG NAG NAG 0.74026 1
9 NDG NAG NAG NAG NAG 0.74026 1
10 NAG NAG NAG NAG NAG NAG NAG NAG 0.74026 1
11 NAG BMA MAN MAN NAG GAL NAG GAL 0.734043 1
12 NDG BMA MAN MAN NAG MAN MAN 0.707071 0.979592
13 GDL NAG 0.688312 0.979592
14 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.676471 0.979592
15 BGC GAL NAG 0.658824 0.918367
16 NAG GAL GAL 0.658537 0.918367
17 MMA MAN NAG 0.654762 0.92
18 BGC GAL GLA NGA 0.640449 0.918367
19 BMA MAN MAN NAG GAL NAG 0.636364 0.979592
20 NAG NAG MAN MAN MAN 0.635417 0.979592
21 NAG NAG BMA MAN MAN NAG NAG 0.628571 0.924528
22 GAL NAG GAL NAG GAL 0.617977 0.979592
23 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.6 0.918367
24 NAG NAG NAG TMX 0.595506 0.844828
25 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.594059 0.918367
26 NAG GAL FUC A2G 0.579545 0.938776
27 NAG ASN NAG BMA MAN MAN NAG NAG 0.570175 0.890909
28 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.570175 0.907407
29 MAN MAN MAN NAG NAG 0.568421 0.979592
30 MAN NAG GAL 0.568182 0.918367
31 NAG GAL 0.567901 0.918367
32 NAG NAG BMA MAN 0.56701 0.90566
33 GAL NAG GAL 0.561798 0.918367
34 C4W NAG FUC BMA MAN MAN NAG NAG 0.560345 0.942308
35 BGC GAL NAG GAL FUC 0.56 0.938776
36 BGC GAL NGA 0.556818 0.918367
37 BMA MAN NAG 0.555556 0.918367
38 BGC FUC GAL NAG GAL 0.554455 0.938776
39 GLC GAL NAG GAL FUC A2G 0.551402 1
40 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.55 0.844828
41 MAN MAN NAG 0.549451 0.882353
42 NAG NAG BMA MAN MAN MAN MAN 0.544643 0.90566
43 BGC FUC GAL NAG 0.540816 0.938776
44 BGC GAL NAG NAG GAL GAL 0.539216 0.979592
45 BGC GAL NAG GAL FUC FUC 0.538462 0.959184
46 NAG NAG NAG 0.532609 0.924528
47 NAG NAG NAG NAG 0.532609 0.924528
48 NAG NAG NAG NAG NAG NAG NAG 0.532609 0.924528
49 MBG NAG 0.529412 0.92
50 C4W NAG FUC BMA MAN MAN NAG 0.525 0.942308
51 MAN NAG 0.52381 0.918367
52 SN5 SN5 0.523256 0.811321
53 BGC GAL NAG GAL 0.521277 0.918367
54 NDG NAG 0.517241 1
55 BGC GAL GLA NGA GAL 0.515464 0.918367
56 YZ0 MAN MAN NAG MAN 0.514563 0.92
57 NAG GAL FUC GLA 0.510204 0.938776
58 NAG BMA MAN MAN MAN MAN 0.509804 0.918367
59 MBG A2G 0.505747 0.92
60 NAG GAL NAG GAL SIA 0.5 0.924528
61 BGC GAL FUC A2G 0.5 0.938776
62 C4W NAG FUC BMA MAN 0.495495 0.942308
63 AMV NAG AMU NAG 0.49505 0.960784
64 MMA MAN NAG MAN NAG NAG 0.49505 0.98
65 NAG NAG BMA BMA 0.494949 0.907407
66 NAG NOJ NAG 0.494845 0.857143
67 Z4S NAG NAG 0.494845 0.924528
68 NAG NOJ NAG NAG 0.494845 0.875
69 GAL NGA A2G 0.494505 0.979592
70 A2G NAG 0.494253 0.979592
71 NAG NAG FUL BMA MAN MAN NAG GAL 0.491667 0.924528
72 NAG NAG BMA 0.489583 0.90566
73 NAG NGT NAG 0.48 0.830508
74 6Y2 0.48 0.765625
75 NAG GAL BGC GAL 0.479167 0.918367
76 GLC GAL NAG GAL FUC GLA 0.477064 0.938776
77 NAG FUC GAL FUC A2G 0.47619 1
78 NAG GAL FUC FUC A2G 0.47619 1
79 C4W NAG FUC BMA MAN NAG 0.474576 0.942308
80 Z3Q NGA 0.474227 0.8
81 AMU NAG 0.474227 0.98
82 GLA NAG GAL FUC 0.47 0.938776
83 BGC GAL NGA GAL 0.46875 0.918367
84 BMA Z4Y NAG 0.465347 0.9
85 NAG G6S 0.463158 0.707692
86 BGC FUC GAL FUC A2G 0.461538 0.959184
87 NAG GAL UNU 0.46 0.96
88 GAL FUC A2G 0.458333 0.938776
89 NAG GCU NAG GCD 0.45614 0.907407
90 MAN MAN MAN GLC 0.455556 0.673469
91 YZ0 MAN Z4Y NAG MAN 0.452991 0.867925
92 NAA AMI NAA 0.45283 0.753846
93 AO3 0.45283 0.753846
94 BDP NPO NDG BDP NDG 0.452174 0.765625
95 GAL NAG GAL FUC FUC 0.451923 0.959184
96 NAG NAG 0.451613 0.96
97 GAL NGA 0.450549 0.862745
98 C4W NAG FUC BMA MAN NAG GAL 0.45 0.844828
99 UMG 0.449541 0.875
100 NDG FUC GAL FUC 0.44898 0.959184
101 NAG GAL FUC FUC 0.44898 0.959184
102 NAG GAL FUC 0.443299 0.938776
103 BGC GAL NAG GAL SIA 0.4375 0.924528
104 NAG BDP NAG BDP NAG BDP NAG 0.433962 0.98
105 BGC GAL GLA 0.431818 0.673469
106 GUM 0.431193 0.875
107 BGC BGC BGC BGC BGC BGC BGC BGC 0.428571 0.673469
108 NAG NGO 0.428571 0.854545
109 C4W NAG FUC BMA 0.427273 0.942308
110 NAG GAL SIA 0.426087 0.942308
111 KPM 0.424528 0.923077
112 NAG GAL BEK 0.422018 0.859649
113 NGT NAG 0.42 0.813559
114 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.419355 0.803279
115 NAG GCS GCS 0.417476 0.884615
116 GAL NAG GAL FUC 0.415094 0.901961
117 NAG GAL NGC 0.413223 0.90566
118 3QL 0.412371 0.90566
119 TVD GAL 0.411111 0.96
120 NM9 NAG 0.41 0.960784
121 LEC NGA 0.409524 0.765625
122 NAG GAL GLC NAG GLC RAM 0.40566 0.979592
123 BGC GAL SIA NAG 0.404762 0.942308
124 MUB ALA NAG DGN 0.403361 0.890909
125 NDG GLA NAG GLC RAM 0.403361 1
126 NDG NAG GLA NAG GLC RAM 0.403361 1
127 AH0 NAG 0.401961 0.907407
128 A2G GAL NAG 0.401961 0.979592
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG NAG BMA MAN NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4L4J; Ligand: NAG NAG BMA MAN NAG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4l4j.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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