Receptor
PDB id Resolution Class Description Source Keywords
154L 1.6 Å EC: 3.2.1.17 THE REFINED STRUCTURES OF GOOSE LYSOZYME AND ITS COMPLEX WIT TRISACCHARIDE SHOW THAT THE "GOOSE-TYPE LYSOZYMES LACK A CAA SPARTATE - HYDROLASE(O-GLYCOSYL)
Ref.: THE REFINED STRUCTURES OF GOOSE LYSOZYME AND ITS CO WITH A BOUND TRISACCHARIDE SHOW THAT THE "GOOSE-TYP LYSOZYMES LACK A CATALYTIC ASPARTATE RESIDUE. J.MOL.BIOL. V. 245 54 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG NAG A:186;
Valid;
none;
submit data
627.597 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
154L 1.6 Å EC: 3.2.1.17 THE REFINED STRUCTURES OF GOOSE LYSOZYME AND ITS COMPLEX WIT TRISACCHARIDE SHOW THAT THE "GOOSE-TYPE LYSOZYMES LACK A CAA SPARTATE - HYDROLASE(O-GLYCOSYL)
Ref.: THE REFINED STRUCTURES OF GOOSE LYSOZYME AND ITS CO WITH A BOUND TRISACCHARIDE SHOW THAT THE "GOOSE-TYP LYSOZYMES LACK A CATALYTIC ASPARTATE RESIDUE. J.MOL.BIOL. V. 245 54 1995
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1LSP - BUL C16 H29 N3 O14 S2 CC(=O)N[C@....
2 154L - NAG 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 10 families.
1 1LSP - BUL C16 H29 N3 O14 S2 CC(=O)N[C@....
2 154L - NAG NAG NAG n/a n/a
3 3GXR - NAG 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 7 families.
1 1LSP - BUL C16 H29 N3 O14 S2 CC(=O)N[C@....
2 154L - NAG NAG NAG n/a n/a
3 3GXR - 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
Pocket no: 1; Query (leader) PDB : 154L; Ligand: NAG; Similar sites found: 76
This union binding pocket (no: 1) in the query (biounit: 154l.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 154L NAG 2.328e-16 1
2 3GXR NAG 1.426e-07 0.63698
3 3GXR NAG 2.682e-07 0.62423
4 4CFP NAG 2.596e-05 0.54395
5 4HJY NAG 5.272e-05 0.52924
6 4HJY NAG 9.908e-05 0.51467
7 4HP0 NOJ 0.004125 0.45511
8 3W6C NAG 0.001429 0.45245
9 2XQO CTR 0.001746 0.44014
10 3WH1 NAG 0.001907 0.43655
11 1LZR NAG 0.001985 0.43576
12 1D0L BLG 0.003673 0.4303
13 1BB6 UMG 0.001859 0.42876
14 1LSZ NDG 0.0004974 0.41335
15 4U0I 0LI 0.03083 0.4074
16 2DQA NAG 0.001596 0.40394
17 4OLT GCS 0.01472 0.40083
18 3AD8 FAD 0.04931 0.39998
19 2BSA FAD 0.04379 0.39971
20 2GAG FAD 0.03834 0.3986
21 3E8N ATP 0.04376 0.39489
22 3ORK AGS 0.02139 0.39182
23 4DYG NAG 0.04413 0.3891
24 2H5Z CTO 0.0001539 0.38767
25 2VBU CDP 0.03861 0.38641
26 2X3J X3J 0.03176 0.38527
27 3A4V NAD 0.04934 0.38466
28 2VH6 GSV 0.03014 0.38342
29 1DJL NAP 0.04504 0.38321
30 2ODE ALF 0.0431 0.38038
31 5APR PRO 0.04336 0.38026
32 3SLS ANP 0.03344 0.37474
33 1EBF NAD 0.037 0.37449
34 1ZQ9 SAM 0.04068 0.36904
35 2XOD FMN 0.04594 0.36846
36 1BVY FMN 0.03574 0.36729
37 3CQL NAG 0.002767 0.36638
38 3CB2 GDP 0.04036 0.3661
39 4MZQ 1VU 0.02543 0.36441
40 3CT5 NAG 0.008137 0.36154
41 4AVB CMP 0.03653 0.35834
42 3BOS CDP 0.01688 0.35672
43 1OHE ACE 0.01043 0.35338
44 1Z0N BCD 0.001572 0.35303
45 2I4O ATP 0.03107 0.35069
46 2IMG MLT 0.0008465 0.34624
47 3SHR CMP 0.03749 0.34589
48 2XZ9 PYR 0.023 0.34353
49 2IYF UDP 0.04202 0.34336
50 1DQN IMU 0.04123 0.34267
51 1JGL EST 0.0306 0.33885
52 4KYQ FLC 0.009907 0.3386
53 2PEL LBT 0.03217 0.33749
54 2I6O ASN 0.01313 0.33679
55 3PNA CMP 0.04294 0.33528
56 4P83 U5P 0.04442 0.3335
57 2F6U CIT 0.02187 0.33229
58 4NAE 1GP 0.04239 0.33222
59 3RGQ 5P5 0.02553 0.33221
60 4ARE FLC 0.03931 0.32658
61 2J0B UDP 0.03616 0.32624
62 4GLW NMN 0.02241 0.32407
63 1FWV SGA 0.04614 0.32168
64 1W62 PYC 0.03218 0.32167
65 3BMQ AX5 0.04794 0.32059
66 2GNB MAN 0.01153 0.31932
67 1QH8 HCA 0.007512 0.31774
68 3U7Q HCA 0.0176 0.31645
69 2GN3 MAN 0.01991 0.31533
70 3CTR MGP 0.01265 0.31527
71 2GN3 MMA 0.03001 0.31315
72 3LN9 FLC 0.01671 0.31216
73 3ZJQ NCA 0.04448 0.3098
74 2J5V PCA 0.03152 0.30961
75 4C01 QY9 0.04951 0.30739
76 2VOH CIT 0.04874 0.30495
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