Receptor
PDB id Resolution Class Description Source Keywords
1AT5 1.8 Å EC: 3.2.1.17 HEN EGG WHITE LYSOZYME WITH A SUCCINIMIDE RESIDUE GALLUS GALLUS SUCCINIMIDE HYDROLASE O-GLYCOSYL HYDROLASE
Ref.: SUCCINIMIDE AND ISOASPARTATE RESIDUES IN THE CRYSTA STRUCTURES OF HEN EGG-WHITE LYSOZYME COMPLEXED WITH TRI-N-ACETYLCHITOTRIOSE. J.MOL.BIOL. V. 278 231 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:141;
Invalid;
none;
submit data
35.453 Cl [Cl-]
NA A:140;
Part of Protein;
none;
submit data
22.99 Na [Na+]
NAG NAG NAG A:130;
Valid;
none;
Kd = 0.0000699 M
627.597 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 (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1T3P - RU7 C10 H14 Cl2 Ru CC(C)C12=[....
2 1LZC - NAG NAG NAG NAG n/a n/a
3 4HPI Kd = 14.2 uM NOJ NAG NAG n/a n/a
4 2H9J - MM5 C28 H48 N8 Ni2 c1cc(ccc1C....
5 1UIB - NAG NAG NAG n/a n/a
6 1AT5 Kd = 0.0000699 M NAG NAG NAG n/a n/a
7 4OWA - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
8 1LZY - NDG NAG n/a n/a
9 3A3Q - NAG NAG NAG n/a n/a
10 4PRQ - T3Y C28 H24 O16 S4 c1c(cc2c(c....
11 3TXJ - NAG C8 H15 N O6 CC(=O)NC1C....
12 1JEF - NAG NAG NAG n/a n/a
13 1YIK - MM1 C10 H24 Cu N4 C1C[NH]2CC....
14 1LZG Kd = 0.14 mM NAG NAG n/a n/a
15 4HP0 Kd = 0.76 uM NOJ NAG NAG NAG n/a n/a
16 3QNG - REJ C6 H6 N O6 Re C(C1C(=O)O....
17 1LJN - CBS C16 H28 N2 O11 CC(=O)NC1C....
18 1YL1 - ETF C2 H3 F3 O C(C(F)(F)F....
19 1B0D - TSU C7 H8 O3 S Cc1ccc(cc1....
20 1LZE Kd = 83 uM NAG NAG NAG NAG n/a n/a
21 1HEW Kd = 10 uM NAG NAG NAG n/a n/a
22 1UIH - NAG NAG NAG n/a n/a
23 1AT6 Kd = 0.000085 M NAG NAG NAG n/a n/a
24 1YIL - MM2 C28 H54 Cu2 N8 c1cc(ccc1C....
25 3QE8 - REI C6 H6 N2 O4 Re C1=C[N](=C....
26 2PC2 - PDC C7 H5 N O4 c1cc(nc(c1....
27 4N8Z - BEN C7 H8 N2 [H]N=C(c1c....
28 1LZB Kd = 13 uM NAG NAG NAG n/a n/a
29 2H9K - MM6 C10 H20 N4 Ni C1CN2CCN3[....
30 4TUN - MVH C6 H12 N O5 P CC(=CC(=O)....
70% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1LMO - NAG NAG n/a n/a
2 1BB7 Ka = 15000 M^-1 GUM C26 H34 N2 O13 CC1=CC(=O)....
3 1LMP - NAG NAG NDG n/a n/a
4 1LMQ - NAG NAG NAG NDG n/a n/a
5 1LMC - BUL C16 H29 N3 O14 S2 CC(=O)NC1C....
6 1BB6 Ka = 500000 M^-1 UMG C34 H47 N3 O18 CC1=CC(=O)....
7 1LZR - NAG NAG NAG NAG n/a n/a
8 1LMT - NAG NAG NAG n/a n/a
9 1BB5 - CTO C24 H41 N3 O16 CC(=O)NC1C....
10 1LZS - NAG NAG n/a n/a
11 1T3P - RU7 C10 H14 Cl2 Ru CC(C)C12=[....
12 1LZC - NAG NAG NAG NAG n/a n/a
13 4HPI Kd = 14.2 uM NOJ NAG NAG n/a n/a
14 2H9J - MM5 C28 H48 N8 Ni2 c1cc(ccc1C....
15 1UIB - NAG NAG NAG n/a n/a
16 1AT5 Kd = 0.0000699 M NAG NAG NAG n/a n/a
17 4OWA - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
18 1LZY - NDG NAG n/a n/a
19 3A3Q - NAG NAG NAG n/a n/a
20 4PRQ - T3Y C28 H24 O16 S4 c1c(cc2c(c....
21 3TXJ - NAG C8 H15 N O6 CC(=O)NC1C....
22 1JEF - NAG NAG NAG n/a n/a
23 1YIK - MM1 C10 H24 Cu N4 C1C[NH]2CC....
24 1LZG Kd = 0.14 mM NAG NAG n/a n/a
25 4HP0 Kd = 0.76 uM NOJ NAG NAG NAG n/a n/a
26 3QNG - REJ C6 H6 N O6 Re C(C1C(=O)O....
27 1LJN - CBS C16 H28 N2 O11 CC(=O)NC1C....
28 1YL1 - ETF C2 H3 F3 O C(C(F)(F)F....
29 1B0D - TSU C7 H8 O3 S Cc1ccc(cc1....
30 1LZE Kd = 83 uM NAG NAG NAG NAG n/a n/a
31 1HEW Kd = 10 uM NAG NAG NAG n/a n/a
32 1UIH - NAG NAG NAG n/a n/a
33 1AT6 Kd = 0.000085 M NAG NAG NAG n/a n/a
34 1YIL - MM2 C28 H54 Cu2 N8 c1cc(ccc1C....
35 3QE8 - REI C6 H6 N2 O4 Re C1=C[N](=C....
36 2PC2 - PDC C7 H5 N O4 c1cc(nc(c1....
37 4N8Z - BEN C7 H8 N2 [H]N=C(c1c....
38 1LZB Kd = 13 uM NAG NAG NAG n/a n/a
39 2H9K - MM6 C10 H20 N4 Ni C1CN2CCN3[....
40 4TUN - MVH C6 H12 N O5 P CC(=CC(=O)....
41 1LSZ - NDG NAG NAG NAG n/a n/a
50% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1LMO - NAG NAG n/a n/a
2 1BB7 Ka = 15000 M^-1 GUM C26 H34 N2 O13 CC1=CC(=O)....
3 1LMP - NAG NAG NDG n/a n/a
4 1LMQ - NAG NAG NAG NDG n/a n/a
5 1LMC - BUL C16 H29 N3 O14 S2 CC(=O)NC1C....
6 1BB6 Ka = 500000 M^-1 UMG C34 H47 N3 O18 CC1=CC(=O)....
7 1LZR - NAG NAG NAG NAG n/a n/a
8 1LMT - NAG NAG NAG n/a n/a
9 1BB5 - CTO C24 H41 N3 O16 CC(=O)NC1C....
10 1LZS - NAG NAG n/a n/a
11 1T3P - RU7 C10 H14 Cl2 Ru CC(C)C12=[....
12 1LZC - NAG NAG NAG NAG n/a n/a
13 4HPI Kd = 14.2 uM NOJ NAG NAG n/a n/a
14 2H9J - MM5 C28 H48 N8 Ni2 c1cc(ccc1C....
15 1UIB - NAG NAG NAG n/a n/a
16 1AT5 Kd = 0.0000699 M NAG NAG NAG n/a n/a
17 4OWA - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
18 1LZY - NDG NAG n/a n/a
19 3A3Q - NAG NAG NAG n/a n/a
20 4PRQ - T3Y C28 H24 O16 S4 c1c(cc2c(c....
21 3TXJ - NAG C8 H15 N O6 CC(=O)NC1C....
22 1JEF - NAG NAG NAG n/a n/a
23 1YIK - MM1 C10 H24 Cu N4 C1C[NH]2CC....
24 1LZG Kd = 0.14 mM NAG NAG n/a n/a
25 4HP0 Kd = 0.76 uM NOJ NAG NAG NAG n/a n/a
26 3QNG - REJ C6 H6 N O6 Re C(C1C(=O)O....
27 1LJN - CBS C16 H28 N2 O11 CC(=O)NC1C....
28 1YL1 - ETF C2 H3 F3 O C(C(F)(F)F....
29 1B0D - TSU C7 H8 O3 S Cc1ccc(cc1....
30 1LZE Kd = 83 uM NAG NAG NAG NAG n/a n/a
31 1HEW Kd = 10 uM NAG NAG NAG n/a n/a
32 1UIH - NAG NAG NAG n/a n/a
33 1AT6 Kd = 0.000085 M NAG NAG NAG n/a n/a
34 1YIL - MM2 C28 H54 Cu2 N8 c1cc(ccc1C....
35 3QE8 - REI C6 H6 N2 O4 Re C1=C[N](=C....
36 2PC2 - PDC C7 H5 N O4 c1cc(nc(c1....
37 4N8Z - BEN C7 H8 N2 [H]N=C(c1c....
38 1LZB Kd = 13 uM NAG NAG NAG n/a n/a
39 2H9K - MM6 C10 H20 N4 Ni C1CN2CCN3[....
40 4TUN - MVH C6 H12 N O5 P CC(=CC(=O)....
41 2H5Z - CTO C24 H41 N3 O16 CC(=O)NC1C....
42 1LSZ - NDG NAG NAG NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG NAG NAG; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NAG NAG NAG NDG NAG 1 1
2 NAG NAG NDG 1 1
3 NAG NAG NAG NDG 1 1
4 NAG NAG NAG 1 1
5 NDG NAG NAG NDG 1 1
6 NDG NAG NAG NDG NAG 1 1
7 CTO 1 1
8 NAG NAG NAG NAG NAG 1 1
9 NAG NAG NAG NAG NDG 1 1
10 NAG NAG NAG NAG 1 1
11 NDG NAG NAG 1 1
12 NAG NAG NAG NAG NAG NAG 1 1
13 NAG NAG NAG NAG NAG NAG NAG NAG 1 1
14 NDG NAG NAG NAG 1 1
15 NAG NDG 0.929825 0.979592
16 CBS CBS 0.929825 0.979592
17 NAG NAG 0.929825 0.979592
18 CBS 0.929825 0.979592
19 NAG GDL 0.929825 0.979592
20 NAG NAG NAG NAG NAG NAG NAG 0.791667 0.907407
21 TCG 0.742857 0.844828
22 CTO TMX 0.742857 0.844828
23 NAG GAL GAL NAG 0.69863 0.979592
24 GAL NAG GAL NAG GAL NAG 0.69863 1
25 SN5 SN5 0.681818 0.811321
26 GAL NDG 0.671875 0.918367
27 NDG GAL 0.671875 0.918367
28 GAL NAG 0.671875 0.918367
29 NLC 0.671875 0.918367
30 NAG BMA NAG MAN MAN NAG NAG 0.655172 1
31 NDG NAG 0.647059 1
32 A2G GAL NAG FUC 0.641975 1
33 A2G MBG 0.632353 0.92
34 MBG A2G 0.632353 0.92
35 NOJ NAG NAG NAG 0.623377 0.890909
36 NOJ NAG NAG 0.623377 0.872727
37 NAG NGA 0.617647 0.979592
38 NAG A2G 0.617647 0.979592
39 MAN NAG 0.61194 0.918367
40 MAN MAN NAG MAN NAG 0.611765 0.979592
41 NAG NAG BMA MAN MAN 0.611765 0.979592
42 NAG MAN BMA NDG MAN NAG GAL 0.608696 1
43 NGA GAL 0.602941 0.918367
44 NAG NAG NGT 0.6 0.830508
45 MAN NAG GAL 0.594595 0.918367
46 GAL NAG MAN 0.594595 0.918367
47 DLD 0.589744 0.813559
48 NAG GAL GAL 0.589041 0.918367
49 GLA GAL NAG 0.589041 0.918367
50 MAN BMA NAG 0.589041 0.918367
51 NAG AMU NAG AMV 0.578313 0.960784
52 NAG NGO 0.573333 0.87037
53 NAG GAL BGC 0.571429 0.918367
54 NDG GAL FUC 0.565789 0.938776
55 FUC GAL NDG 0.565789 0.938776
56 FUL GAL NAG 0.565789 0.938776
57 FUC GAL NAG 0.565789 0.938776
58 DR2 0.565789 0.938776
59 GLC GAL NAG GAL 0.5625 0.918367
60 GAL NAG GAL BGC 0.5625 0.918367
61 AO3 0.55814 0.753846
62 NAG MUB 0.556962 0.98
63 NAG AMU 0.556962 0.98
64 NAG NDG BMA 0.556962 0.90566
65 NAG NAG BMA 0.556962 0.90566
66 NGA GLA GAL BGC 0.555556 0.918367
67 MAN BMA NAG NAG MAN NAG GAL GAL 0.554348 1
68 NAG MAN MAN MAN NAG GAL NAG GAL 0.554348 1
69 NAG MAN GAL BMA NDG MAN NAG GAL 0.554348 1
70 NAG MAN GAL BMA NAG MAN NAG GAL 0.554348 1
71 NAG GAL GAL NAG GAL 0.55 0.979592
72 GAL NGA A2G 0.546667 0.979592
73 G6S NAG 0.545455 0.714286
74 GAL NAG GAL 0.544304 0.882353
75 NAA NAA AMI 0.539326 0.720588
76 M5G 0.536082 0.979592
77 UMG 0.533333 0.875
78 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.525253 0.979592
79 NAG MAN BMA 0.525 0.918367
80 NGT NAG 0.525 0.813559
81 NAG MAN MAN 0.525 0.918367
82 FUC GLA A2G 0.518987 0.938776
83 NGA GAL FUC 0.518987 0.938776
84 FUC GAL A2G 0.518987 0.938776
85 A2G GLA FUC 0.518987 0.938776
86 FUC GL0 A2G 0.518987 0.938776
87 A2G GAL FUC 0.518987 0.938776
88 NAG NAG BMA MAN NAG 0.515789 0.924528
89 2F8 0.515625 0.86
90 MAG 0.515625 0.86
91 HS2 0.512821 0.882353
92 MAN MAN NAG 0.5125 0.882353
93 GUM 0.511111 0.875
94 A2G 0.508197 0.816327
95 NGA 0.508197 0.816327
96 NDG 0.508197 0.816327
97 NAG 0.508197 0.816327
98 HSQ 0.508197 0.816327
99 BM3 0.508197 0.816327
100 NAG MAN MMA 0.506329 0.92
101 GCS GCS NAG 0.506024 0.901961
102 GLA NAG GAL FUC 0.505882 0.938776
103 NAG GCU NAG GCD 0.505155 0.907407
104 NAG MAN MAN MAN NAG 0.5 0.979592
105 UNU GAL NAG 0.5 0.96
106 NAG NAG BMA MAN 0.5 0.90566
107 A2G GAL BGC FUC 0.494382 0.938776
108 NAG NAG BMA BMA 0.488372 0.907407
109 NG1 0.485294 0.758621
110 GN1 0.485294 0.758621
111 FUC GAL NAG A2G FUC 0.483516 1
112 NAG NAG BMA MAN MAN NAG NAG 0.480392 0.924528
113 ASG 0.478261 0.646154
114 NAG MAN GAL MAN MAN NAG GAL 0.473118 0.979592
115 FUC BGC GAL NAG GAL 0.473118 0.938776
116 FUC BGC GAL NAG 0.47191 0.938776
117 NA1 NAA AMI 0.46875 0.742424
118 NAG GCU NAG GCU NAG GCU 5AX 0.466667 0.98
119 NAG BDP NAG BDP NAG BDP NAG 0.466667 0.98
120 BGC FUC GAL FUC A2G 0.466667 0.959184
121 MMA MAN NAG MAN NAG NAG 0.455556 0.98
122 SN5 SN5 NGT 0.454545 0.733333
123 GYU 0.453333 0.807018
124 BEK GAL NAG 0.451613 0.859649
125 GAL NGA 0.445946 0.918367
126 A2G GAL 0.445946 0.918367
127 GAL A2G 0.445946 0.918367
128 NAG GAL 0.445946 0.918367
129 NAG MU2 0.445545 0.890909
130 AH0 NAG 0.438202 0.907407
131 NAG AH0 0.438202 0.907407
132 MA8 0.435897 0.814815
133 TNR 0.434211 0.865385
134 A2G GAL NAG FUC GAL GLC 0.431373 1
135 BGC GAL NAG GAL 0.430233 0.918367
136 ASN NAG NAG BMA MAN MAN NAG NAG 0.428571 0.907407
137 NAG AMU ALA DGL 0.423077 0.907407
138 GAL NAG FUC 0.421687 0.938776
139 FUC NDG GAL 0.421687 0.938776
140 GAL NDG FUC 0.421687 0.938776
141 FUC NAG GAL 0.421687 0.938776
142 FUC NDG GAL FUC 0.418605 0.959184
143 FUC GAL NAG FUC 0.418605 0.959184
144 FUC NAG GAL FUC 0.418605 0.959184
145 FUC GAL NDG FUC 0.418605 0.959184
146 BDZ 0.418605 0.959184
147 BCW 0.418605 0.959184
148 NAG GAL SIA 0.417476 0.924528
149 WZ5 0.416667 0.92
150 NAG GDL PHJ 0.414141 0.803279
151 NAG SIA GAL 0.411765 0.942308
152 GYT 0.409639 0.830508
153 SNG 0.405797 0.788462
154 NAG NAG BMA MAN MAN MAN MAN 0.40367 0.90566
155 LEC 0.402439 0.71875
156 SN5 NGT 0.402299 0.733333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4HP0; Ligand: NOJ NAG NAG NAG; Similar sites found: 49
This union binding pocket(no: 1) in the query (biounit: 4hp0.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2BOS GLA GAL GLC 0.0000553 0.54409
2 2BOS GLA GAL 0.00008608 0.53503
3 2BOS GLA GAL 0.0001209 0.51643
4 4MJ0 BGC SIA SIA GAL 0.001765 0.47666
5 4MJ0 SIA SIA GAL 0.002172 0.47119
6 4DYG MES 0.001649 0.46451
7 2XQO CTR 0.003046 0.45932
8 4MJ0 SIA SIA 0.00407 0.45542
9 3CT5 NAG NAG NAG 0.003633 0.4553
10 3CQL NAG 0.003121 0.45482
11 4MJ0 SIA SIA 0.004313 0.45413
12 2G30 ALA ALA PHE 0.005194 0.44937
13 3CQL NAG 0.003918 0.44917
14 3N75 G4P 0.01021 0.43711
15 3BWR GAL NGA SIA GAL BGC 0.009308 0.43382
16 4KPM BEN 0.01426 0.4296
17 3BWR GAL NGA SIA GAL BGC 0.01213 0.4232
18 3BWR GAL NGA SIA GAL BGC 0.01258 0.42238
19 4M6T SAM 0.01288 0.42186
20 1NPL MAN MAN 0.01774 0.4204
21 1U0J ADP 0.01496 0.41852
22 4CFP NAG AMU NAG AMV 0.001707 0.41832
23 4J25 OGA 0.02099 0.41737
24 4PTN PYR 0.03014 0.41517
25 1YP1 LYS ASN LEU 0.02176 0.41434
26 1D0L BLG 0.0007486 0.41424
27 3K8D KDO 0.02741 0.40903
28 2ZUX RAM 0.03483 0.40769
29 3K8D KDO 0.02939 0.40742
30 3WH1 NAG NAG NAG NAG 0.001757 0.40721
31 4KZV TRE 0.01411 0.40711
32 3TW1 AHN 0.03179 0.40652
33 4K79 GAL A2G 0.03063 0.40646
34 4J25 OGA 0.03419 0.40574
35 3S6X SIA GAL BGC 0.04052 0.405
36 1H3F TYE 0.03317 0.40471
37 4LED XXR 0.03149 0.40446
38 4IAW LIZ 0.02834 0.4042
39 1FLJ GSH 0.02615 0.40376
40 4J25 OGA 0.03719 0.40349
41 4POS NAG SIA GAL 0.02559 0.40264
42 2HRL SIA GAL SIA BGC NGA CEQ 0.03044 0.40259
43 2EFX NFA 0.0363 0.40253
44 3W6C NAG NAG 0.006979 0.40231
45 3AJ6 NGA 0.03283 0.40121
46 3AJ6 NGA 0.03283 0.40121
47 1XDY MTE 0.0169 0.40086
48 3KP6 SAL 0.02369 0.40072
49 4LEB THR THR THR THR THR THR THR 0.03051 0.40032
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