Receptor
PDB id Resolution Class Description Source Keywords
3GXR 1.7 Å EC: 3.2.1.17 THE CRYSTAL STRUCTURE OF G-TYPE LYSOZYME FROM ATLANTIC COD ( MORHUA L.) IN COMPLEX WITH NAG OLIGOMERS SHEDS NEW LIGHT ONB INDING AND THE CATALYTIC MECHANISM. STRUCTURE WITH NAG TO GADUS MORHUA ATLANTIC COD FISH LYSOZYME ACTIVE SITE RESIDUES SUBSTRATESITES SURFACE POTENTIAL MURAMIDASE ACTIVITY IMMUNE SYSTEHYDROLASE
Ref.: CRYSTAL STRUCTURES OF G-TYPE LYSOZYME FROM ATLANTIC NEW LIGHT ON SUBSTRATE BINDING AND THE CATALYTIC ME CELL.MOL.LIFE SCI. V. 66 2585 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG NAG G:1;
I:1;
F:1;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
611.598 n/a O=C(N...
NAG NAG H:1;
E:1;
 Valid;
Valid;
 none;
none;
 submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GXR 1.7 Å EC: 3.2.1.17 THE CRYSTAL STRUCTURE OF G-TYPE LYSOZYME FROM ATLANTIC COD ( MORHUA L.) IN COMPLEX WITH NAG OLIGOMERS SHEDS NEW LIGHT ONB INDING AND THE CATALYTIC MECHANISM. STRUCTURE WITH NAG TO GADUS MORHUA ATLANTIC COD FISH LYSOZYME ACTIVE SITE RESIDUES SUBSTRATESITES SURFACE POTENTIAL MURAMIDASE ACTIVITY IMMUNE SYSTEHYDROLASE
Ref.: CRYSTAL STRUCTURES OF G-TYPE LYSOZYME FROM ATLANTIC NEW LIGHT ON SUBSTRATE BINDING AND THE CATALYTIC ME CELL.MOL.LIFE SCI. V. 66 2585 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 3GXR - NAG 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 17 families.
1 3GXR - NAG NAG n/a n/a
2 154L - NAG NAG NAG n/a n/a
3 1LSP - BUL C16 H29 N3 O14 S2 CC(=O)N[C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3GXR - NAG NAG n/a n/a
2 154L - NAG NAG NAG n/a n/a
3 1LSP - BUL C16 H29 N3 O14 S2 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG NAG NAG; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NAG NAG 1 1
2 NAG NAG NAG NAG NAG NAG NAG 1 1
3 NAG NAG NAG NAG 1 1
4 NAG NAG BMA 0.830986 0.981132
5 NAG NAG BMA MAN 0.7375 0.981132
6 NAG NAG BMA BMA 0.730769 0.981481
7 NAG NAG BMA MAN MAN NAG NAG 0.680851 1
8 NAG NAG NAG NAG NAG NAG NAG NAG 0.680556 0.924528
9 NDG NAG NAG NAG NAG 0.680556 0.924528
10 NAG NAG NAG NAG NAG NAG 0.680556 0.924528
11 NAG NAG NAG NAG NAG 0.680556 0.924528
12 NAG BMA 0.647887 0.90566
13 NAG NOJ NAG 0.62963 0.894737
14 Z4S NAG NAG 0.62963 0.859649
15 NAG NOJ NAG NAG 0.62963 0.912281
16 GDL NAG 0.625 0.90566
17 NAG NAG BMA MAN MAN MAN MAN 0.584158 0.981132
18 MBG A2G 0.573333 0.851852
19 GAL NGA 0.565789 0.867925
20 NAG NGT NAG 0.551724 0.777778
21 BGC GAL NGA 0.55 0.849057
22 BMA MAN NAG 0.548781 0.849057
23 Z3Q NGA 0.547619 0.777778
24 GAL NAG GAL 0.536585 0.849057
25 AMV NAG AMU NAG 0.533333 0.890909
26 MAN NAG 0.533333 0.849057
27 NAG NAG BMA MAN NAG 0.532609 0.924528
28 3QL 0.530864 0.842105
29 MAN NAG GAL 0.52439 0.849057
30 NAG GAL NAG 0.52381 0.90566
31 MAN MAN NAG 0.52381 0.886792
32 A2G NAG 0.519481 0.90566
33 NAG NAG NAG TMX 0.517647 0.790323
34 6Y2 0.516854 0.720588
35 NAA AMI NAA 0.516129 0.710145
36 AO3 0.516129 0.710145
37 NAG NGO 0.511905 0.79661
38 NDG NAG 0.506329 0.924528
39 GAL NAG GAL NAG GAL 0.505747 0.90566
40 GAL NGA A2G 0.5 0.90566
41 MBG NAG 0.5 0.851852
42 NAG NAG FUL BMA MAN MAN NAG GAL 0.495495 1
43 UMG 0.494845 0.816667
44 BMA MAN MAN NAG GAL NAG 0.49 0.90566
45 NAG GAL NAG GAL NAG GAL 0.488636 0.924528
46 NAG GAL NAG GAL 0.488636 0.90566
47 BGC GAL NAG 0.488372 0.849057
48 NGT NAG 0.482759 0.761905
49 BGC GAL GLA NGA 0.477778 0.849057
50 AH0 NAG 0.477273 0.844828
51 SN5 SN5 0.475 0.754386
52 GUM 0.474227 0.816667
53 MMA MAN NAG 0.465116 0.851852
54 2F8 0.464789 0.796296
55 MAG 0.464789 0.796296
56 MAN MAN MAN NAG NAG 0.462366 0.90566
57 AMU NAG 0.460674 0.907407
58 GAL FUC A2G 0.45977 0.867925
59 GN1 0.459459 0.709677
60 NG1 0.459459 0.709677
61 NAG NAG BMA MAN MAN NAG GAL NAG 0.457944 0.924528
62 NM9 NAG 0.454545 0.890909
63 FHY 0.452632 0.859649
64 NAG AH0 0.451613 0.844828
65 NAA AMI NA1 0.45098 0.7
66 NDG BMA MAN MAN NAG GAL NAG 0.448598 0.924528
67 JXD 0.447619 0.728571
68 NAG GAL 0.443038 0.849057
69 NAG NAG MAN MAN MAN 0.44 0.90566
70 BGC FUC GAL NAG GAL 0.44 0.867925
71 BDP NPO NDG BDP NDG 0.439252 0.720588
72 MMA MAN NAG MAN NAG NAG 0.4375 0.907407
73 BGC FUC GAL NAG 0.4375 0.867925
74 BMA Z4Y NAG 0.43617 0.833333
75 BGC FUC GAL FUC A2G 0.43299 0.886792
76 GYU 0.432099 0.813559
77 BGC GAL FUC A2G 0.428571 0.867925
78 BGC GAL NAG NAG GAL GAL 0.425743 0.90566
79 C4W NAG FUC BMA 0.425743 0.875
80 TVD GAL 0.425 0.888889
81 C4W NAG FUC BMA MAN NAG 0.424779 0.875
82 SN5 NGT SN5 0.421053 0.6875
83 NAG GAL GLC NAG GLC RAM 0.416667 0.90566
84 3YW 0.4125 0.811321
85 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.40678 0.910714
86 NAG ASN NAG BMA MAN MAN NAG NAG 0.40678 0.894737
87 BGC GAL NGA GAL 0.406593 0.849057
88 LEC NGA 0.40625 0.720588
89 NAG FUC GAL FUC A2G 0.405941 0.924528
90 NAG GAL FUC FUC A2G 0.405941 0.924528
91 GAL NAG 0.404762 0.849057
92 NAG BDP NAG BDP NAG BDP NAG 0.40404 0.907407
93 NAG NAG 0.402299 0.924528
94 NAG BMA MAN MAN NAG GAL NAG GAL 0.401869 0.924528
95 ALA NAG AH0 DAL 0.4 0.830508
96 MA8 0.4 0.821429
97 C4W NAG FUC BMA MAN MAN NAG NAG 0.4 0.875
Ligand no: 2; Ligand: NAG NAG; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NAG 1 1
2 GDL NAG 0.608696 0.979592
3 NAG GCS GCS 0.607595 0.921569
4 NAG GAL 0.588235 0.918367
5 NAG NAG NAG NAG NAG NAG NAG NAG 0.575342 0.96
6 NDG NAG NAG NAG NAG 0.575342 0.96
7 NAG NAG NAG NAG NAG NAG 0.575342 0.96
8 NAG NAG NAG NAG NAG 0.575342 0.96
9 NAG GAL GAL 0.519481 0.918367
10 NAG NAG NAG TMX 0.518519 0.813559
11 NAG GAL NAG 0.506173 0.979592
12 NAG GAL FUC A2G 0.5 0.938776
13 NAG G6S 0.5 0.707692
14 ASG 0.492754 0.646154
15 NAG GAL NAG GAL 0.488095 0.979592
16 NAG GAL NAG GAL NAG GAL 0.488095 0.96
17 KPM 0.483146 0.886792
18 SN5 SN5 0.473684 0.811321
19 NAG GAL UNU 0.45977 0.921569
20 NAG NAG MAN MAN MAN 0.452632 0.979592
21 NAG NAG BMA MAN NAG 0.451613 0.96
22 NAG GAL FUC GLA 0.449438 0.938776
23 NAG GAL BEK 0.431579 0.827586
24 NDG 0.430769 0.816327
25 BM3 0.430769 0.816327
26 NAG 0.430769 0.816327
27 A2G 0.430769 0.816327
28 HSQ 0.430769 0.816327
29 NGA 0.430769 0.816327
30 NAG GAL BGC GAL 0.430233 0.918367
31 NAG BMA MAN MAN MAN MAN 0.421053 0.918367
32 ASG GC4 0.41573 0.681818
33 NAG GCU NAG GCD 0.413462 0.907407
34 NDG NAG 0.4125 0.96
35 GAL NAG GAL 0.411765 0.918367
36 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.41 0.918367
37 NAG GAL SIA 0.407767 0.942308
38 BGC GAL NGA 0.404762 0.918367
39 TVD GAL 0.402597 0.96
40 NAG NAG NAG NAG NAG NAG NAG 0.402299 0.924528
41 NAG NAG NAG 0.402299 0.924528
42 NAG NAG NAG NAG 0.402299 0.924528
43 MBG A2G 0.4 0.92
44 NAG NOJ NAG NAG 0.4 0.875
45 MAN NAG GAL 0.4 0.918367
46 NAG NOJ NAG 0.4 0.890909
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG NAG NAG; Similar ligands found: 2
No: Ligand Similarity coefficient
1 NDG NAG NAG 0.9395
2 NAG NAG MAN 0.8511
Ligand no: 2; Ligand: NAG NAG; Similar ligands found: 10
No: Ligand Similarity coefficient
1 NAG NGO 0.9606
2 NGT NAG 0.9302
3 SN5 NGT 0.9295
4 3QL 0.9276
5 GAL NAG 0.9035
6 NGA NAG 0.8967
7 NDG GAL 0.8890
8 MBG NAG 0.8829
9 GAL NGA 0.8823
10 BGC BGC 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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