Receptor
PDB id Resolution Class Description Source Keywords
1lzg 1.8 Å EC: 3.2.1.17 DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT HE WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC ACTIVITY GALLUS GALLUS HYDROLASE (O-GLYCOSYL)
Ref.: DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYT ACTIVITY. J.MOL.BIOL. V. 247 281 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG B:1;
Valid;
none;
Kd = 0.14 mM
408.404 n/a O=C(N...
View in 3D viewer
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: 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; 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)
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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