Receptor
PDB id Resolution Class Description Source Keywords
2DQA 1.6 Å EC: 3.2.1.17 CRYSTAL STRUCTURE OF TAPES JAPONICA LYSOZYME TAPES JAPONICA LYSOZYME ENZYME SUBSTRATE COMPLEX HYDROLASE
Ref.: CRYSTAL STRUCTURE OF TAPES JAPONICA LYSOZYME WITH S ANALOGUE: STRUCTURAL BASIS OF THE CATALYTIC MECHANI MANIFESTATION OF ITS CHITINASE ACTIVITY ACCOMPANIED QUATERNARY STRUCTURAL CHANGE J.BIOL.CHEM. V. 282 27459 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC B:2001;
B:3001;
Invalid;
Invalid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
NAG NAG NAG C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
627.597 n/a O=C(N...
PT A:1201;
A:1205;
A:1206;
A:1211;
B:1202;
C:1212;
D:1213;
D:1214;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
195.078 Pt [Pt+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2DQA 1.6 Å EC: 3.2.1.17 CRYSTAL STRUCTURE OF TAPES JAPONICA LYSOZYME TAPES JAPONICA LYSOZYME ENZYME SUBSTRATE COMPLEX HYDROLASE
Ref.: CRYSTAL STRUCTURE OF TAPES JAPONICA LYSOZYME WITH S ANALOGUE: STRUCTURAL BASIS OF THE CATALYTIC MECHANI MANIFESTATION OF ITS CHITINASE ACTIVITY ACCOMPANIED QUATERNARY STRUCTURAL CHANGE J.BIOL.CHEM. V. 282 27459 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2DQA - NAG NAG NAG n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2DQA - NAG NAG NAG n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2DQA - NAG NAG NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG NAG NAG; Similar ligands found: 187
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NAG NAG NAG NAG 1 1
2 NAG NAG NAG NAG NDG NAG 1 1
3 NAG NAG NAG 1 1
4 NAG NAG NAG NDG 1 1
5 NAG NAG NAG NAG NAG NAG NAG NAG 1 1
6 NAG NAG NAG NAG 1 1
7 NAG NAG NAG NAG NAG NAG 1 1
8 NAG NAG NAG NAG NDG 1 1
9 NDG NAG NAG NAG 1 1
10 NAG NAG NDG 1 1
11 NDG NAG NAG NDG 1 1
12 CTO 1 1
13 NDG NAG NAG 1 1
14 NDG NAG NAG NDG NAG 1 1
15 NAG GDL 0.929825 0.979592
16 NAG NDG 0.929825 0.979592
17 CBS CBS 0.929825 0.979592
18 CBS 0.929825 0.979592
19 NAG NAG NAG NAG NAG NAG NAG 0.791667 0.907407
20 NAG GAL NAG 0.753623 0.979592
21 TCG 0.742857 0.844828
22 CTO TMX 0.742857 0.844828
23 GAL NAG GAL NAG GAL NAG 0.69863 1
24 NAG GAL GAL NAG 0.69863 0.979592
25 SN5 SN5 0.681818 0.811321
26 NDG GAL 0.671875 0.918367
27 GAL NDG 0.671875 0.918367
28 NLC 0.671875 0.918367
29 NAG BMA NAG MAN MAN NAG NAG 0.655172 1
30 NGA GAL BGC 0.647887 0.918367
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 A2G 0.617647 0.979592
38 NAG NGA 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 GAL NAG 0.602941 0.918367
44 NAG GAL 0.602941 0.918367
45 NGA GAL 0.602941 0.918367
46 NAG NAG NGT 0.6 0.830508
47 MAN NAG GAL 0.594595 0.918367
48 GAL NAG MAN 0.594595 0.918367
49 DLD 0.589744 0.813559
50 NAG GAL GAL 0.589041 0.918367
51 MAN BMA NAG 0.589041 0.918367
52 GLA GAL NAG 0.589041 0.918367
53 NAG NAG 0.583333 0.886792
54 NAG FUC 0.57971 0.897959
55 NAG AMU NAG AMV 0.578313 0.960784
56 NAG NGO 0.573333 0.87037
57 NAG GAL BGC 0.571429 0.918367
58 NDG GAL FUC 0.565789 0.938776
59 DR2 0.565789 0.938776
60 FUC GAL NAG 0.565789 0.938776
61 FUC GAL NDG 0.565789 0.938776
62 FUL GAL NAG 0.565789 0.938776
63 GLC GAL NAG GAL 0.5625 0.918367
64 6Y2 0.560976 0.765625
65 AO3 0.55814 0.753846
66 NAG MUB 0.556962 0.98
67 NAG NAG BMA 0.556962 0.90566
68 NAG NDG BMA 0.556962 0.90566
69 NAG AMU 0.556962 0.98
70 NGA GLA GAL BGC 0.555556 0.918367
71 NAG MAN GAL BMA NAG MAN NAG GAL 0.554348 1
72 NAG MAN GAL BMA NDG MAN NAG GAL 0.554348 1
73 NAG MAN MAN MAN NAG GAL NAG GAL 0.554348 1
74 MAN BMA NAG NAG MAN NAG GAL GAL 0.554348 1
75 NAG GAL GAL NAG GAL 0.55 0.979592
76 NAG MBG 0.549296 0.92
77 G6S NAG 0.545455 0.714286
78 GAL NAG GAL 0.544304 0.882353
79 NAA NAA AMI 0.539326 0.720588
80 M5G 0.536082 0.979592
81 UMG 0.533333 0.875
82 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.525253 0.979592
83 NGT NAG 0.525 0.813559
84 NAG MAN MAN 0.525 0.918367
85 NAG MAN BMA 0.525 0.918367
86 3QL 0.519481 0.90566
87 FUC GL0 A2G 0.518987 0.938776
88 FUC GAL A2G 0.518987 0.938776
89 A2G GLA FUC 0.518987 0.938776
90 FUC GLA A2G 0.518987 0.938776
91 A2G GAL FUC 0.518987 0.938776
92 NGA GAL FUC 0.518987 0.938776
93 NAG NAG BMA MAN NAG 0.515789 0.924528
94 2F8 0.515625 0.86
95 MAG 0.515625 0.86
96 HS2 0.512821 0.882353
97 MAN MAN NAG 0.5125 0.882353
98 GUM 0.511111 0.875
99 A2G 0.508197 0.816327
100 NDG 0.508197 0.816327
101 HSQ 0.508197 0.816327
102 NGA 0.508197 0.816327
103 NAG 0.508197 0.816327
104 BM3 0.508197 0.816327
105 NAG MAN MMA 0.506329 0.92
106 GAL BGC NAG GAL 0.506173 0.918367
107 GCS GCS NAG 0.506024 0.901961
108 NAG GCU NAG GCD 0.505155 0.907407
109 NAG NAG BMA MAN 0.5 0.90566
110 NAG MAN MAN MAN NAG 0.5 0.979592
111 UNU GAL NAG 0.5 0.96
112 A2G GAL BGC FUC 0.494382 0.938776
113 NAG NM9 0.493827 0.960784
114 NAG BMA MAN MAN MAN MAN 0.488636 0.918367
115 NAG NAG BMA BMA 0.488372 0.907407
116 NG1 0.485294 0.758621
117 GN1 0.485294 0.758621
118 NAG GAL FUC FUC A2G 0.483516 1
119 FUC GAL NAG A2G FUC 0.483516 1
120 AH0 NAG 0.481928 0.907407
121 GAL NGA A2G 0.480519 0.96
122 NAG NAG BMA MAN MAN NAG NAG 0.480392 0.924528
123 ASG 0.478261 0.646154
124 FUC BGC GAL NAG GAL 0.473118 0.938776
125 NAG MAN GAL MAN MAN NAG GAL 0.473118 0.979592
126 FUC GAL NAG A2G 0.472527 0.907407
127 FUC BGC GAL NAG 0.47191 0.938776
128 NDG BDP BDP NPO NDG 0.47 0.765625
129 NA1 NAA AMI 0.46875 0.742424
130 BGC FUC GAL FUC A2G 0.466667 0.959184
131 GLC FUC GAL FUC A2G 0.466667 0.959184
132 NAG BDP NAG BDP NAG BDP NAG 0.466667 0.98
133 NAG GCU NAG GCU NAG GCU 5AX 0.466667 0.98
134 8VZ 0.465753 0.96
135 MMA MAN NAG MAN NAG NAG 0.455556 0.98
136 SN5 SN5 NGT 0.454545 0.733333
137 GYU 0.453333 0.807018
138 3YW 0.452055 0.84
139 BEK GAL NAG 0.451613 0.859649
140 GAL A2G 0.445946 0.918367
141 GAL NGA 0.445946 0.918367
142 A2G GAL 0.445946 0.918367
143 NAG MU2 0.445545 0.890909
144 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.443299 0.918367
145 LEC NGA 0.438202 0.765625
146 NAG AH0 0.438202 0.907407
147 MA8 0.435897 0.814815
148 TNR 0.434211 0.865385
149 GLC GAL NAG GAL FUC A2G 0.431373 1
150 A2G GAL NAG FUC GAL GLC 0.431373 1
151 LAT NAG GAL 0.430233 0.918367
152 BGC GAL NAG GAL 0.430233 0.918367
153 GAL NAG GAL BGC 0.430233 0.918367
154 ASN NAG NAG BMA MAN MAN NAG NAG 0.428571 0.907407
155 GAL NGA GLA BGC GAL 0.426966 0.918367
156 BGA 0.425532 0.824561
157 NAG AMU ALA DGL 0.423077 0.907407
158 GAL NAG FUC 0.421687 0.938776
159 FUC NAG GAL 0.421687 0.938776
160 FUC NDG GAL 0.421687 0.938776
161 GAL NDG FUC 0.421687 0.938776
162 SIA GAL NGA 0.421569 0.942308
163 4U2 0.42 0.960784
164 3PV 0.419355 0.867925
165 GAL NAG FUC FUC 0.418605 0.959184
166 FUC NAG GAL FUC 0.418605 0.959184
167 FUC GAL NDG FUC 0.418605 0.959184
168 FUC GAL NAG FUC 0.418605 0.959184
169 FUC NDG GAL FUC 0.418605 0.959184
170 BCW 0.418605 0.959184
171 GAL NDG FUC FUC 0.418605 0.959184
172 BDZ 0.418605 0.959184
173 4U1 0.417476 0.942308
174 NAG GAL SIA 0.417476 0.924528
175 WZ5 0.416667 0.92
176 NAG GDL PHJ 0.414141 0.803279
177 SIA GAL NAG 0.411765 0.942308
178 NAG SIA GAL 0.411765 0.942308
179 GYT 0.409639 0.830508
180 SNG 0.405797 0.788462
181 NAG NAG BMA MAN MAN MAN MAN 0.40367 0.90566
182 LEC 0.402439 0.71875
183 6ZC 0.402439 0.71875
184 SN5 NGT 0.402299 0.733333
185 GAL BGC SIA NGA 0.401786 0.942308
186 SIA GAL BGC NGA 0.401786 0.942308
187 BGC GAL SIA NGA 0.401786 0.942308
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2DQA; Ligand: NAG NAG NAG; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 2dqa.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KZL CRM 0.003057 0.42527 None
2 4CNG SAH 0.01493 0.41442 None
3 2W9S NDP 0.01595 0.41298 None
4 5H86 BCO 0.02702 0.40274 None
5 2H29 DND 0.01121 0.42705 0.806452
6 4OLT GCS GCS GCS GCS GCS GCS 0.01376 0.42133 1.6129
7 4N70 2HX 0.03851 0.41142 1.6129
8 3W6C NAG NAG 0.0000494 0.5418 2.41935
9 3NW7 LGV 0.04057 0.40862 2.41935
10 4DHY GLC 0.0268 0.40536 2.41935
11 2ZFZ ARG 0.04173 0.41031 2.53165
12 5MPQ BLG 0.0003517 0.47195 3.22581
13 1BOB ACO 0.004314 0.43672 3.22581
14 4AUT FAD 0.0201 0.42033 3.22581
15 4C3Y FAD 0.03339 0.41146 3.22581
16 4C3Y ANB 0.0492 0.40645 3.22581
17 4CFP NAG AMU NAG AMV 0.000001258 0.61537 4.03226
18 5TWJ SAM 0.003906 0.43715 4.03226
19 1P9P SAH 0.005908 0.42834 4.03226
20 4G6I RS3 0.02315 0.41094 4.03226
21 4P8K 38C 0.04152 0.41263 4.83871
22 3VEH 0GA 0.04751 0.40158 4.83871
23 3CQL NAG 0.002435 0.40181 5.64516
24 3WH1 NAG NAG NAG NAG 0.02499 0.40043 5.64516
25 2QTR NXX 0.03071 0.40676 7.25806
26 1QX4 FAD 0.03871 0.40152 7.25806
27 4B5P ACO 0.0004944 0.48833 8.06452
28 5G5G FAD 0.03953 0.40756 8.06452
29 4YRY NAD 0.03778 0.41264 8.87097
30 2JDC CAO 0.002408 0.45554 9.67742
31 4MIB 28M 0.04654 0.42609 10.4839
32 2WLG SOP 0.02742 0.42311 10.4839
33 4WZ8 3W7 0.02879 0.41487 10.4839
34 1QSR ACO 0.02364 0.40163 10.4839
35 4H6U ACO 0.0008614 0.46739 11.2903
36 1IM8 SAI 0.01892 0.40186 11.2903
37 5GK9 ACO 0.006096 0.4339 12.0968
38 4GUT FAD 0.03308 0.41574 13.7097
39 4GUS FAD 0.03189 0.41502 13.7097
40 4FWE FAD 0.03298 0.41343 13.7097
41 4HSU FAD 0.03508 0.41281 13.7097
42 5UAV NDP 0.04453 0.40032 15.3226
43 5UAV TFB 0.04453 0.40032 15.3226
44 4HJY NAG NAG NAG 0.00001506 0.55977 16.129
45 1D0L BLG 0.02843 0.40406 16.9355
46 1I36 NAP 0.02375 0.40008 24.1935
Pocket No.: 2; Query (leader) PDB : 2DQA; Ligand: NAG NAG NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2dqa.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback