Receptor
PDB id Resolution Class Description Source Keywords
1LZY 1.55 Å EC: 3.2.1.17 X-RAY STRUCTURE OF TURKEY EGG LYSOZYME COMPLEX WITH DI-N- ACETYLCHITOBIOSE. RECOGNITION AND BINDING OF ALPHA-ANOMERIC MELEAGRIS GALLOPAVO HYDROLASE (O-GLYCOSYL)
Ref.: X-RAY STRUCTURE OF MONOCLINIC TURKEY EGG LYSOZYME A RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 49 497 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDG NAG B:1;
 Valid;
 none;
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422.387 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HP0 1.19 Å EC: 3.2.1.17 CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME IN COMPLEX WITH GALLUS GALLUS LYSOZYME CARBOHYDRATE HYDROLASE-HYDROLASE INHIBITOR COMPLE
Ref.: A NOVEL TRANSITION-STATE ANALOGUE FOR LYSOZYME, 4-O-BETA-TRI-N-ACETYLCHITOTRIOSYL MORANOLINE, PROVI EVIDENCE SUPPORTING THE COVALENT GLYCOSYL-ENZYME INTERMEDIATE. J.BIOL.CHEM. V. 288 6072 2013
Members (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 4Z46 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 4YEO - CPT Cl2 H6 N2 Pt [NH3][Pt](....
3 6WRM - U8G C14 H23 N3 O4 Rh CC(C)(C)OC....
4 1AT5 Kd = 0.0000666 M NAG NAG NAG n/a n/a
5 4OWA - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
6 1LZY - NDG NAG n/a n/a
7 3A3Q - NAG NAG NAG n/a n/a
8 4HP0 Kd = 0.76 uM NAG NOJ NAG NAG n/a n/a
9 6BO1 - E3D C9 H10 Cl2 N2 Ru Cn1c2ccccc....
10 6SYD - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
11 6QEA - J9H C17 H18 N3 Pt Cc1ccc2ccc....
12 6GOH - F7T C15 H15 Cl2 N3 O3 Pt S c1ccc2c(c1....
13 1HEW Kd = 10 uM NAG NAG NAG n/a n/a
14 6QNB - NAG NAG NAG n/a n/a
15 3QE8 - REI C6 H6 N2 O4 Re C1=C[N](=C....
16 4XN6 - BAM C7 H9 N2 c1ccc(cc1)....
17 1LZB Kd = 13 uM NAG NAG NAG n/a n/a
18 2H9K - MM6 C10 H20 N4 Ni C1CN2CCN3[....
19 4TUN - MVH C6 H12 N O5 P CC(=CC(=O)....
20 5NJP - NAG NAG NAG n/a n/a
21 4Z41 - 4KV C13 H18 Cl O3 Pt S3 CCSC1=[S][....
22 1T3P - RU7 C10 H14 Cl2 Ru CC(C)C12=[....
23 5NJQ - NAG NAG NAG n/a n/a
24 1LZC - NAG NAG NAG NAG n/a n/a
25 4HPI Kd = 14.2 uM NAG NOJ NAG n/a n/a
26 2H9J - MM5 C28 H48 N8 Ni2 c1cc(ccc1C....
27 6TVL - NYN C8 H16 N2 Ru S3 C1C[N-][Ru....
28 4XEN - NAG NAG NAG NAG n/a n/a
29 1UIB - NAG NAG NAG n/a n/a
30 6SYE - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
31 6RNB - NAG NAG NAG n/a n/a
32 5NJR - NAG NAG NAG n/a n/a
33 4ZEE Kd = 1.51 mM 1PT C6 H14 N2 Pt C1CC[C@@H]....
34 4PRQ - T3Y C28 H24 O16 S4 c1c(cc2c(c....
35 3TXJ - NAG C8 H15 N O6 CC(=O)N[C@....
36 1JEF - NAG NAG NAG n/a n/a
37 1YIK - MM1 C10 H24 Cu N4 C1C[N@@H]2....
38 1LZG Kd = 0.14 mM NAG NAG n/a n/a
39 3QNG - REJ C6 H6 N O6 Re C([C@H]1C(....
40 6FSJ - CIT C6 H8 O7 C(C(=O)O)C....
41 1LJN - NAG NAG n/a n/a
42 6SYC - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
43 5NJS - NAG NAG NAG n/a n/a
44 1YL1 - ETF C2 H3 F3 O C(C(F)(F)F....
45 1B0D - TSU C7 H8 O3 S Cc1ccc(cc1....
46 1LZE Kd = 83 uM NAG NAG NAG NAG n/a n/a
47 4Z3M - 4KV C13 H18 Cl O3 Pt S3 CCSC1=[S][....
48 1UIH - NAG NAG NAG n/a n/a
49 1AT6 Kd = 0.000085 M NAG NAG NAG n/a n/a
50 1YIL - MM2 C28 H54 Cu2 N8 c1cc(ccc1C....
51 6BO2 - E3D C9 H10 Cl2 N2 Ru Cn1c2ccccc....
52 2PC2 - PDC C7 H5 N O4 c1cc(nc(c1....
53 4N8Z - BEN C7 H8 N2 [H]/N=C(c1....
54 5B5J - UTX C21 H29 B12 N6 O5 S B1234B567B....
55 6RNC - NAG NAG NAG n/a n/a
56 6GOB - F6Q C15 H15 Cl2 N3 O3 Pd S c1ccc2c(c1....
70% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4Z46 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 4YEO - CPT Cl2 H6 N2 Pt [NH3][Pt](....
3 6WRM - U8G C14 H23 N3 O4 Rh CC(C)(C)OC....
4 1AT5 Kd = 0.0000666 M NAG NAG NAG n/a n/a
5 4OWA - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
6 1LZY - NDG NAG n/a n/a
7 3A3Q - NAG NAG NAG n/a n/a
8 4HP0 Kd = 0.76 uM NAG NOJ NAG NAG n/a n/a
9 6BO1 - E3D C9 H10 Cl2 N2 Ru Cn1c2ccccc....
10 6SYD - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
11 6QEA - J9H C17 H18 N3 Pt Cc1ccc2ccc....
12 6GOH - F7T C15 H15 Cl2 N3 O3 Pt S c1ccc2c(c1....
13 1HEW Kd = 10 uM NAG NAG NAG n/a n/a
14 6QNB - NAG NAG NAG n/a n/a
15 3QE8 - REI C6 H6 N2 O4 Re C1=C[N](=C....
16 4XN6 - BAM C7 H9 N2 c1ccc(cc1)....
17 1LZB Kd = 13 uM NAG NAG NAG n/a n/a
18 2H9K - MM6 C10 H20 N4 Ni C1CN2CCN3[....
19 4TUN - MVH C6 H12 N O5 P CC(=CC(=O)....
20 5NJP - NAG NAG NAG n/a n/a
21 4Z41 - 4KV C13 H18 Cl O3 Pt S3 CCSC1=[S][....
22 1T3P - RU7 C10 H14 Cl2 Ru CC(C)C12=[....
23 5NJQ - NAG NAG NAG n/a n/a
24 1LZC - NAG NAG NAG NAG n/a n/a
25 4HPI Kd = 14.2 uM NAG NOJ NAG n/a n/a
26 2H9J - MM5 C28 H48 N8 Ni2 c1cc(ccc1C....
27 6TVL - NYN C8 H16 N2 Ru S3 C1C[N-][Ru....
28 4XEN - NAG NAG NAG NAG n/a n/a
29 1UIB - NAG NAG NAG n/a n/a
30 6SYE - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
31 6RNB - NAG NAG NAG n/a n/a
32 5NJR - NAG NAG NAG n/a n/a
33 4ZEE Kd = 1.51 mM 1PT C6 H14 N2 Pt C1CC[C@@H]....
34 4PRQ - T3Y C28 H24 O16 S4 c1c(cc2c(c....
35 3TXJ - NAG C8 H15 N O6 CC(=O)N[C@....
36 1JEF - NAG NAG NAG n/a n/a
37 1YIK - MM1 C10 H24 Cu N4 C1C[N@@H]2....
38 1LZG Kd = 0.14 mM NAG NAG n/a n/a
39 3QNG - REJ C6 H6 N O6 Re C([C@H]1C(....
40 6FSJ - CIT C6 H8 O7 C(C(=O)O)C....
41 1LJN - NAG NAG n/a n/a
42 6SYC - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
43 5NJS - NAG NAG NAG n/a n/a
44 1YL1 - ETF C2 H3 F3 O C(C(F)(F)F....
45 1B0D - TSU C7 H8 O3 S Cc1ccc(cc1....
46 1LZE Kd = 83 uM NAG NAG NAG NAG n/a n/a
47 4Z3M - 4KV C13 H18 Cl O3 Pt S3 CCSC1=[S][....
48 1UIH - NAG NAG NAG n/a n/a
49 1AT6 Kd = 0.000085 M NAG NAG NAG n/a n/a
50 1YIL - MM2 C28 H54 Cu2 N8 c1cc(ccc1C....
51 6BO2 - E3D C9 H10 Cl2 N2 Ru Cn1c2ccccc....
52 2PC2 - PDC C7 H5 N O4 c1cc(nc(c1....
53 4N8Z - BEN C7 H8 N2 [H]/N=C(c1....
54 5B5J - UTX C21 H29 B12 N6 O5 S B1234B567B....
55 6RNC - NAG NAG NAG n/a n/a
56 6GOB - F6Q C15 H15 Cl2 N3 O3 Pd S c1ccc2c(c1....
57 1LMP - NDG NAG NAG n/a n/a
58 1BB6 Ka = 500000 M^-1 UMG C34 H47 N3 O18 CC1=CC(=O)....
59 1LMO - NAG NAG n/a n/a
60 1BB7 Ka = 15000 M^-1 GUM C26 H34 N2 O13 CC1=CC(=O)....
61 1LMQ - NDG NAG NAG NAG n/a n/a
62 1LMC - BUL C16 H29 N3 O14 S2 CC(=O)N[C@....
63 1LZR - NAG NAG NAG NAG n/a n/a
64 1LZS - NAG NAG n/a n/a
65 1LMT - NAG NAG NAG n/a n/a
66 1BB5 - NAG NAG NAG n/a n/a
67 1LSZ - NDG NAG NAG NAG n/a n/a
50% Homology Family (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4Z46 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 4YEO - CPT Cl2 H6 N2 Pt [NH3][Pt](....
3 6WRM - U8G C14 H23 N3 O4 Rh CC(C)(C)OC....
4 1AT5 Kd = 0.0000666 M NAG NAG NAG n/a n/a
5 4OWA - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
6 1LZY - NDG NAG n/a n/a
7 3A3Q - NAG NAG NAG n/a n/a
8 4HP0 Kd = 0.76 uM NAG NOJ NAG NAG n/a n/a
9 6BO1 - E3D C9 H10 Cl2 N2 Ru Cn1c2ccccc....
10 6SYD - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
11 6QEA - J9H C17 H18 N3 Pt Cc1ccc2ccc....
12 6GOH - F7T C15 H15 Cl2 N3 O3 Pt S c1ccc2c(c1....
13 1HEW Kd = 10 uM NAG NAG NAG n/a n/a
14 6QNB - NAG NAG NAG n/a n/a
15 3QE8 - REI C6 H6 N2 O4 Re C1=C[N](=C....
16 4XN6 - BAM C7 H9 N2 c1ccc(cc1)....
17 1LZB Kd = 13 uM NAG NAG NAG n/a n/a
18 2H9K - MM6 C10 H20 N4 Ni C1CN2CCN3[....
19 4TUN - MVH C6 H12 N O5 P CC(=CC(=O)....
20 5NJP - NAG NAG NAG n/a n/a
21 4Z41 - 4KV C13 H18 Cl O3 Pt S3 CCSC1=[S][....
22 1T3P - RU7 C10 H14 Cl2 Ru CC(C)C12=[....
23 5NJQ - NAG NAG NAG n/a n/a
24 1LZC - NAG NAG NAG NAG n/a n/a
25 4HPI Kd = 14.2 uM NAG NOJ NAG n/a n/a
26 2H9J - MM5 C28 H48 N8 Ni2 c1cc(ccc1C....
27 6TVL - NYN C8 H16 N2 Ru S3 C1C[N-][Ru....
28 4XEN - NAG NAG NAG NAG n/a n/a
29 1UIB - NAG NAG NAG n/a n/a
30 6SYE - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
31 6RNB - NAG NAG NAG n/a n/a
32 5NJR - NAG NAG NAG n/a n/a
33 4ZEE Kd = 1.51 mM 1PT C6 H14 N2 Pt C1CC[C@@H]....
34 4PRQ - T3Y C28 H24 O16 S4 c1c(cc2c(c....
35 3TXJ - NAG C8 H15 N O6 CC(=O)N[C@....
36 1JEF - NAG NAG NAG n/a n/a
37 1YIK - MM1 C10 H24 Cu N4 C1C[N@@H]2....
38 1LZG Kd = 0.14 mM NAG NAG n/a n/a
39 3QNG - REJ C6 H6 N O6 Re C([C@H]1C(....
40 6FSJ - CIT C6 H8 O7 C(C(=O)O)C....
41 1LJN - NAG NAG n/a n/a
42 6SYC - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
43 5NJS - NAG NAG NAG n/a n/a
44 1YL1 - ETF C2 H3 F3 O C(C(F)(F)F....
45 1B0D - TSU C7 H8 O3 S Cc1ccc(cc1....
46 1LZE Kd = 83 uM NAG NAG NAG NAG n/a n/a
47 4Z3M - 4KV C13 H18 Cl O3 Pt S3 CCSC1=[S][....
48 1UIH - NAG NAG NAG n/a n/a
49 1AT6 Kd = 0.000085 M NAG NAG NAG n/a n/a
50 1YIL - MM2 C28 H54 Cu2 N8 c1cc(ccc1C....
51 6BO2 - E3D C9 H10 Cl2 N2 Ru Cn1c2ccccc....
52 2PC2 - PDC C7 H5 N O4 c1cc(nc(c1....
53 4N8Z - BEN C7 H8 N2 [H]/N=C(c1....
54 5B5J - UTX C21 H29 B12 N6 O5 S B1234B567B....
55 6RNC - NAG NAG NAG n/a n/a
56 6GOB - F6Q C15 H15 Cl2 N3 O3 Pd S c1ccc2c(c1....
57 1LMP - NDG NAG NAG n/a n/a
58 1BB6 Ka = 500000 M^-1 UMG C34 H47 N3 O18 CC1=CC(=O)....
59 1LMO - NAG NAG n/a n/a
60 1BB7 Ka = 15000 M^-1 GUM C26 H34 N2 O13 CC1=CC(=O)....
61 1LMQ - NDG NAG NAG NAG n/a n/a
62 1LMC - BUL C16 H29 N3 O14 S2 CC(=O)N[C@....
63 1LZR - NAG NAG NAG NAG n/a n/a
64 1LZS - NAG NAG n/a n/a
65 1LMT - NAG NAG NAG n/a n/a
66 1BB5 - NAG NAG NAG n/a n/a
67 6T6C - NAG NAG NAG NAG n/a n/a
68 2H5Z - NAG NAG NAG n/a n/a
69 1LSZ - NDG NAG NAG NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NDG NAG; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 NDG NAG 1 1
2 GDL NAG 0.6875 0.979592
3 NDG NAG NAG NAG NAG 0.647059 1
4 NAG NAG NAG NAG NAG 0.647059 1
5 NAG NAG NAG NAG NAG NAG 0.647059 1
6 NAG NAG NAG NAG NAG NAG NAG NAG 0.647059 1
7 A2G NAG 0.61194 0.979592
8 MAN NAG 0.606061 0.918367
9 NAG GAL NAG 0.586667 0.979592
10 MBG NAG 0.565217 0.92
11 MBG A2G 0.557143 0.92
12 GAL NGA 0.549296 0.862745
13 MAN MAN NAG 0.545455 0.882353
14 GAL NGA A2G 0.540541 0.979592
15 MMA MAN NAG 0.539474 0.92
16 3QL 0.533333 0.90566
17 BGC GAL NGA 0.533333 0.918367
18 GAL FUC A2G 0.532468 0.938776
19 MAG 0.532258 0.86
20 2F8 0.532258 0.86
21 NAG NAG BMA MAN NAG 0.517241 1
22 NAG NGO 0.512821 0.854545
23 BMA MAN NAG 0.512821 0.918367
24 AMU NAG 0.5125 0.98
25 3YW 0.507246 0.84
26 BGC GAL NAG 0.506329 0.918367
27 NAG NAG NAG NAG NAG NAG NAG 0.506329 0.924528
28 NAG NAG NAG 0.506329 0.924528
29 NAG NAG NAG NAG 0.506329 0.924528
30 GN1 0.5 0.758621
31 NAG GAL 0.5 0.918367
32 NG1 0.5 0.758621
33 MAN MAN MAN NAG NAG 0.494118 0.979592
34 Z3Q NGA 0.493827 0.8
35 AH0 NAG 0.493827 0.907407
36 SN5 SN5 0.493151 0.811321
37 NM9 NAG 0.4875 0.960784
38 TNR 0.486111 0.865385
39 SER A2G 0.486111 0.849057
40 BMA Z4Y NAG 0.482353 0.9
41 NAG NOJ NAG NAG 0.481928 0.875
42 Z4S NAG NAG 0.481928 0.924528
43 NAG NOJ NAG 0.481928 0.857143
44 NAG NAG NAG TMX 0.481481 0.844828
45 NGT NAG 0.481481 0.813559
46 BGC GAL GLA NGA 0.47619 0.918367
47 NGA 0.47541 0.816327
48 A2G 0.47541 0.816327
49 NAG 0.47541 0.816327
50 HSQ 0.47541 0.816327
51 BM3 0.47541 0.816327
52 NDG 0.47541 0.816327
53 GAL NAG 0.472973 0.918367
54 NAG GAL NAG GAL 0.46988 0.979592
55 NAG GAL NAG GAL NAG GAL 0.46988 1
56 MMA MAN NAG MAN NAG NAG 0.465909 0.98
57 6Y2 0.465116 0.765625
58 NAG NGT NAG 0.465116 0.830508
59 NAG BDP NAG BDP NAG BDP NAG 0.460674 0.98
60 NAG GAL GLC NAG GLC RAM 0.45977 0.979592
61 A2G GAL NAG 0.457831 0.979592
62 HD4 0.45 0.75
63 MAN NAG GAL 0.45 0.918367
64 FHY 0.449438 0.924528
65 AMV NAG AMU NAG 0.449438 0.960784
66 BGC FUC GAL NAG 0.449438 0.938776
67 LEC NGA 0.448276 0.765625
68 NAG AH0 0.448276 0.907407
69 MA8 0.447368 0.814815
70 GYU 0.445946 0.807018
71 NAG FUC GAL FUC A2G 0.445652 1
72 NAG GAL FUC FUC A2G 0.445652 1
73 NDG BMA MAN MAN NAG GAL NAG 0.445545 1
74 BGC FUC GAL FUC A2G 0.444444 0.959184
75 GAL NAG GAL 0.444444 0.918367
76 GYP GZL NAG 0.444444 0.867925
77 NAG GAL GAL 0.443038 0.918367
78 NDG BMA MAN MAN NAG MAN MAN 0.441176 0.979592
79 NAG NAG BMA MAN MAN NAG GAL NAG 0.441176 1
80 YZ0 MAN MAN NAG MAN 0.44086 0.92
81 BGC GAL FUC A2G 0.43956 0.938776
82 A2G GAL 0.438356 0.918367
83 NAA AMI NAA 0.434783 0.753846
84 AO3 0.434783 0.753846
85 BMX BMX BMX BM3 0.433735 0.859649
86 BMA MAN MAN NAG GAL NAG 0.428571 0.979592
87 HSH A2G FUC 0.428571 0.824561
88 NAG GAL FUC A2G 0.426829 0.938776
89 GUM 0.425532 0.875
90 TVD GAL 0.418919 0.96
91 GAL NAG GAL NAG GAL 0.418605 0.979592
92 SNG 0.41791 0.788462
93 UMG 0.416667 0.875
94 NAG NAG 0.4125 0.96
95 6ZC 0.4125 0.71875
96 LEC 0.4125 0.71875
97 NAG GAL BGC GAL 0.411765 0.918367
98 57S 0.409639 0.75
99 NAG G6S 0.409639 0.707692
100 ASG 0.408451 0.646154
101 MUB ALA NAG GLN 0.407767 0.907407
102 NAG NAG BMA 0.406977 0.90566
103 NAG NAG MAN MAN MAN 0.40625 0.979592
104 GYT 0.402439 0.830508
105 JXD 0.401961 0.720588
106 AMU ALA NAG DGL 0.401961 0.907407
107 MGC GAL 0.4 0.92
Similar Ligands (3D)
Ligand no: 1; Ligand: NDG NAG; Similar ligands found: 3
No: Ligand Similarity coefficient
1 SN5 NGT 0.8951
2 NGA NAG 0.8950
3 NDG GAL 0.8863
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4HP0; Ligand: NAG NOJ NAG 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: 4hp0.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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