Receptor
PDB id Resolution Class Description Source Keywords
1HFU 1.68 Å EC: 1.10.3.2 TYPE-2 CU-DEPLETED LACCASE FROM COPRINUS CINEREUS AT 1.68 A COPRINUS CINEREUS OXIDOREDUCTASE LACCASE BLUE MULTI-COPPER OXIDASE TYPE-2 CDEPLETED GLYCOPROTEIN
Ref.: STRUCTURE OF THE LACCASE FROM COPRINUS CINEREUS AT RESOLUTION: EVIDENCE FOR DIFFERENT TYPE 2 CU-DEPLET ISOFORMS ACTA CRYSTALLOGR.,SECT.D V. 57 333 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CU A:701;
A:702;
A:703;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
63.546 Cu [Cu+2...
MAN MAN A:600;
Valid;
none;
submit data
342.297 n/a O(CC1...
NAG NDG A:602;
Valid;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HFU 1.68 Å EC: 1.10.3.2 TYPE-2 CU-DEPLETED LACCASE FROM COPRINUS CINEREUS AT 1.68 A COPRINUS CINEREUS OXIDOREDUCTASE LACCASE BLUE MULTI-COPPER OXIDASE TYPE-2 CDEPLETED GLYCOPROTEIN
Ref.: STRUCTURE OF THE LACCASE FROM COPRINUS CINEREUS AT RESOLUTION: EVIDENCE FOR DIFFERENT TYPE 2 CU-DEPLET ISOFORMS ACTA CRYSTALLOGR.,SECT.D V. 57 333 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1HFU - MAN MAN 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 4 families.
1 1HFU - MAN MAN n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1HFU - MAN MAN n/a n/a
2 1KYA - XYD C8 H11 N Cc1ccc(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MAN; Similar ligands found: 189
No: Ligand ECFP6 Tc MDL keys Tc
1 MLB 1 1
2 MAN MAN 1 1
3 GAL GLC 1 1
4 MAN BMA 1 1
5 GAL GAL 1 1
6 GLA BMA 1 1
7 BMA GLA 1 1
8 GLA BGC 1 1
9 GLA GLC 1 1
10 BGC GLA 1 1
11 LAK 1 1
12 GLC GLC GLC GLC BGC 0.953488 1
13 GLC GLC GLC GLC GLC BGC 0.953488 1
14 BMA MAN MAN 0.953488 1
15 AHR AHR 0.75 0.857143
16 FUB AHR 0.75 0.857143
17 MAN MAN BMA MAN 0.732143 1
18 MAN MAN MAN MAN 0.732143 1
19 AHR AHR AHR AHR AHR AHR 0.702128 0.857143
20 FUB AHR AHR 0.702128 0.857143
21 MAN MAN MAN 0.672727 1
22 MAN BMA MAN 0.672727 1
23 GLC GLC GLC BGC 0.633333 1
24 M5S 0.606557 1
25 MAN BMA MAN MAN MAN 0.606557 1
26 BMA BMA MAN GLA GLA 0.583333 1
27 MAN MAN MAN BMA MAN 0.575758 1
28 BMA BMA GLA BMA BMA 0.546875 1
29 BMA BMA BMA GLA BMA 0.546875 1
30 GLC Z9N 0.54386 0.842105
31 MAN MMA MAN 0.540984 0.942857
32 MAN MAN MAN MAN MAN MAN MAN 0.535211 1
33 GLA GLC FRU 0.515625 0.891892
34 RAF 0.515625 0.891892
35 GIV 0.511628 0.848485
36 ALL 0.511628 0.848485
37 WOO 0.511628 0.848485
38 GLC 0.511628 0.848485
39 GXL 0.511628 0.848485
40 BMA 0.511628 0.848485
41 GLA 0.511628 0.848485
42 GAL 0.511628 0.848485
43 MAN 0.511628 0.848485
44 BGC 0.511628 0.848485
45 SUC GLA GLA 0.507692 0.891892
46 SUC GLA GLA GLA 0.507692 0.891892
47 STW 0.507692 0.891892
48 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
49 NGB 0.485294 0.622642
50 BMA MAN MAN MAN MAN 0.485294 1
51 4CQ 0.483871 0.970588
52 WZ2 0.477612 0.868421
53 BGC GAL 0.472727 1
54 GAL BGC 0.472727 1
55 MAL 0.472727 1
56 CBI 0.472727 1
57 B2G 0.472727 1
58 MAB 0.472727 1
59 BGC BMA 0.472727 1
60 LBT 0.472727 1
61 CBK 0.472727 1
62 N9S 0.472727 1
63 GLC GAL 0.472727 1
64 LAT 0.472727 1
65 BMA BMA 0.472727 1
66 BMA GAL 0.472727 1
67 NAG MAN MAN 0.472222 0.733333
68 RGG 0.471698 0.882353
69 SUC GLA 0.471429 0.891892
70 DMJ MAN 0.466667 0.695652
71 NOJ BGC 0.466667 0.695652
72 WZ3 0.463768 0.916667
73 DEG 0.462963 0.769231
74 IFM MAN 0.459016 0.711111
75 EMZ 0.458333 0.783784
76 G6P 0.45098 0.674419
77 BGP 0.45098 0.674419
78 M6P 0.45098 0.674419
79 BG6 0.45098 0.674419
80 A6P 0.45098 0.674419
81 M6D 0.45098 0.674419
82 AHR AHR AHR 0.45 0.805556
83 GLC BGC 0.446429 1
84 M3M 0.446429 1
85 MAN GLC 0.446429 1
86 GLA GAL 0.446429 1
87 LB2 0.446429 1
88 EBQ 0.446429 0.789474
89 GLA GLA 0.446429 1
90 EBG 0.446429 0.837838
91 GLC GLC 0.446429 1
92 NGR 0.446429 1
93 GAL GAL GAL 0.440678 1
94 CTT 0.440678 1
95 MAN BMA BMA BMA BMA 0.440678 1
96 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 1
97 CTR 0.440678 1
98 GLC BGC BGC BGC BGC BGC 0.440678 1
99 MAN BMA BMA 0.440678 1
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
101 CE6 0.440678 1
102 BGC BGC BGC GLC 0.440678 1
103 GLA GAL BGC 0.440678 1
104 BGC GLC GLC 0.440678 1
105 GLC BGC BGC BGC 0.440678 1
106 MT7 0.440678 1
107 BGC GLC GLC GLC GLC 0.440678 1
108 GLC GAL GAL 0.440678 1
109 DXI 0.440678 1
110 CEX 0.440678 1
111 B4G 0.440678 1
112 GLC BGC BGC BGC BGC 0.440678 1
113 CEY 0.440678 1
114 GLC BGC BGC 0.440678 1
115 MAN BMA BMA BMA BMA BMA 0.440678 1
116 GLC GLC GLC GLC GLC 0.440678 1
117 CT3 0.440678 1
118 BGC BGC GLC 0.440678 1
119 BGC GLC GLC GLC GLC GLC GLC 0.440678 1
120 MTT 0.440678 1
121 GLC BGC GLC 0.440678 1
122 MAN MAN BMA BMA BMA BMA 0.440678 1
123 BGC BGC BGC 0.440678 1
124 CE8 0.440678 1
125 GLA GAL GLC 0.440678 1
126 BMA BMA BMA BMA BMA BMA 0.440678 1
127 MLR 0.440678 1
128 BMA MAN BMA 0.440678 1
129 BGC GLC GLC GLC 0.440678 1
130 CE5 0.440678 1
131 BGC BGC BGC BGC 0.440678 1
132 BMA BMA BMA 0.440678 1
133 BMA BMA BMA BMA BMA 0.440678 1
134 1GN ACY GAL ACY 1GN BGC GAL BGC 0.439024 0.6875
135 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.439024 0.6875
136 GLC HEX 0.438596 0.714286
137 JZR 0.438596 0.714286
138 BHG 0.438596 0.714286
139 TRE 0.4375 1
140 BMA Z4Y NAG 0.435897 0.717391
141 B7G 0.431034 0.738095
142 KGM 0.431034 0.738095
143 BGC GLC 0.428571 1
144 BMA MAN 0.428571 1
145 MBG 0.428571 0.857143
146 MMA 0.428571 0.857143
147 GYP 0.428571 0.857143
148 2M4 0.428571 1
149 AMG 0.428571 0.857143
150 NAG BMA MAN MAN MAN MAN MAN 0.425287 0.733333
151 GAL GAL SO4 0.424242 0.66
152 HSJ 0.423729 0.738095
153 BOG 0.423729 0.738095
154 BNG 0.423729 0.738095
155 GL1 0.423077 0.697674
156 G1P 0.423077 0.697674
157 XGP 0.423077 0.697674
158 M1P 0.423077 0.697674
159 BGC BGC XYS BGC 0.418919 0.942857
160 GAL FUC 0.416667 0.941176
161 SER MAN 0.416667 0.72093
162 XYT 0.415385 0.767442
163 BQZ 0.415094 0.909091
164 6SA 0.414894 0.733333
165 GAL BGC NAG GAL 0.413333 0.733333
166 GAL BGC BGC XYS 0.410959 0.942857
167 BGC BGC BGC GLC BGC BGC 0.409836 1
168 BGC BGC BGC BGC BGC BGC 0.409836 1
169 GLC GLC GLC GLC 0.409836 1
170 GLC BGC BGC BGC BGC BGC BGC 0.409836 1
171 GLA EGA 0.409836 0.942857
172 GLC GLC GLC 0.409836 1
173 GLC GLC BGC 0.409836 1
174 DGD 0.409639 0.733333
175 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409091 0.733333
176 BGC BGC XYS XYS GAL 0.407407 0.942857
177 NAG NAG BMA MAN MAN 0.406977 0.6875
178 T6P 0.40678 0.767442
179 GLA GAL GAL 0.40625 1
180 NAG BMA MAN MAN MAN MAN MAN MAN 0.404494 0.733333
181 IAB 0.404494 0.733333
182 MAN MAN BMA 0.403226 1
183 BMA BMA MAN 0.403226 1
184 BGC BGC XYS BGC XYS BGC XYS 0.402597 0.942857
185 BGC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
186 XYS BGC BGC XYS BGC XYS BGC 0.402597 0.942857
187 XYS BGC BGC XYS BGC BGC XYS 0.402597 0.942857
188 GLC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
189 BMA MAN MAN MAN 0.4 1
Ligand no: 2; Ligand: NAG NDG; Similar ligands found: 131
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NDG 1 1
2 NAG NAG 1 1
3 NAG NAG NAG 0.890625 0.962264
4 NAG NDG BMA 0.732394 0.980769
5 NAG NAG BMA 0.732394 0.980769
6 NAG BMA 0.71875 0.941176
7 NAG NAG BMA MAN NAG 0.655172 0.962264
8 NAG NAG BMA MAN 0.65 0.980769
9 NAG NAG BMA BMA 0.641026 0.944444
10 NGA GAL 0.623188 0.901961
11 CBS CBS 0.617647 0.903846
12 CBS 0.617647 0.903846
13 NDG NAG 0.617647 0.903846
14 NAG GDL 0.617647 0.903846
15 NAG NAG BMA MAN MAN NAG NAG 0.606383 0.962264
16 MBG A2G 0.585714 0.849057
17 A2G MBG 0.585714 0.849057
18 NAG NAG NDG 0.583333 0.886792
19 NAG NAG NAG NAG NAG NAG 0.583333 0.886792
20 NAG NAG NAG NDG 0.583333 0.886792
21 NAG NAG NAG NAG 0.583333 0.886792
22 CTO 0.583333 0.886792
23 NDG NAG NAG 0.583333 0.886792
24 NDG NAG NAG NDG 0.583333 0.886792
25 NAG NAG NAG NAG NDG 0.583333 0.886792
26 NAG NAG NAG NAG NAG 0.583333 0.886792
27 NAG NAG NDG NAG 0.583333 0.886792
28 NDG NAG NAG NAG 0.583333 0.886792
29 NAG NAG NAG NAG NAG NAG NAG NAG 0.583333 0.886792
30 NAG NGA 0.571429 0.903846
31 NAG A2G 0.571429 0.903846
32 NGA GAL BGC 0.56 0.846154
33 3QL 0.56 0.839286
34 MAN MAN NAG 0.551282 0.884615
35 NAG MBG 0.549296 0.849057
36 GAL NGA A2G 0.546667 0.903846
37 NOJ NAG NAG 0.54321 0.892857
38 NOJ NAG NAG NAG 0.54321 0.877193
39 Z4S NAG NAG 0.54321 0.824561
40 NAG MAN BMA 0.532468 0.846154
41 AH0 NAG 0.518519 0.810345
42 2F8 0.515625 0.826923
43 MAG 0.515625 0.826923
44 NAG NAG BMA MAN MAN MAN MAN 0.514852 0.980769
45 NAG MAN 0.513514 0.849057
46 NAG GAL NAG 0.5125 0.903846
47 NAG GAL BGC 0.5125 0.846154
48 NG1 0.507463 0.677419
49 GN1 0.507463 0.677419
50 NGT NAG 0.506173 0.730159
51 FUC GAL A2G 0.5 0.865385
52 FUC GLA A2G 0.5 0.865385
53 A2G GLA FUC 0.5 0.865385
54 NGA GAL FUC 0.5 0.865385
55 A2G GAL FUC 0.5 0.865385
56 DLD 0.493976 0.786885
57 5AX 0.492063 0.862745
58 FHY 0.488636 0.824561
59 NAG AH0 0.488372 0.810345
60 NAG MAN MAN 0.487805 0.846154
61 NAG MAN MMA 0.4875 0.849057
62 A2G GAL 0.486486 0.941176
63 NGA GLA GAL BGC 0.482353 0.846154
64 NAG AMU 0.481928 0.87037
65 NAG MUB 0.481928 0.87037
66 NAG NM9 0.47561 0.854545
67 GYU 0.472973 0.810345
68 GAL NAG GAL BGC 0.471264 0.884615
69 6Y2 0.471264 0.691176
70 NAG NAG NGT 0.471264 0.746032
71 GAL NAG GAL 0.46988 0.884615
72 NAG MAN MAN MAN NAG 0.465909 0.903846
73 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.464646 0.923077
74 SN5 SN5 0.460526 0.75
75 NAG AMU NAG AMV 0.455556 0.854545
76 FUC BGC GAL NAG 0.455556 0.865385
77 BMA Z4Y NAG 0.454545 0.830189
78 3YW 0.452055 0.843137
79 BGC FUC GAL FUC A2G 0.450549 0.849057
80 GLC FUC GAL FUC A2G 0.450549 0.849057
81 A2G GAL NAG FUC 0.445652 0.886792
82 FUC GAL NAG A2G 0.445652 0.886792
83 A2G GAL GLC FUC 0.445652 0.865385
84 A2G GAL BGC FUC 0.445652 0.865385
85 AO3 0.44086 0.681159
86 NAA NAA AMI 0.44086 0.681159
87 MMA MAN NAG MAN NAG NAG 0.43956 0.87037
88 GAL NAG MAN 0.439024 0.846154
89 LEC NGA 0.438202 0.691176
90 MA8 0.435897 0.818182
91 TCG 0.435294 0.758065
92 NAG BDP NAG BDP NAG BDP NAG 0.434783 0.87037
93 TNR 0.434211 0.867925
94 NAG NAG FUL BMA MAN MAN NAG GAL 0.432432 0.962264
95 GUM 0.431579 0.783333
96 FUC NAG 0.43038 0.960784
97 ALA NAG AH0 DAL 0.428571 0.79661
98 GYT 0.426829 0.833333
99 NLC 0.426667 0.846154
100 GAL NDG 0.426667 0.846154
101 NAG GAL GAL NAG GAL 0.425287 0.903846
102 UMG 0.42268 0.783333
103 FUC GAL NAG A2G FUC 0.421053 0.886792
104 NAG GAL FUC FUC A2G 0.421053 0.886792
105 NAG MAN BMA MAN NAG GAL 0.42 0.903846
106 3PV 0.419355 0.836364
107 NAG 0.415385 0.784314
108 HSQ 0.415385 0.784314
109 NGA 0.415385 0.784314
110 BM3 0.415385 0.784314
111 A2G 0.415385 0.784314
112 NDG 0.415385 0.784314
113 NAG GDL PHJ 0.414141 0.723077
114 NAG A2G GAL 0.413793 0.903846
115 NAG BMA NAG MAN MAN NAG NAG 0.411765 0.886792
116 BGA 0.410526 0.79661
117 GAL NAG GAL NAG GAL NAG 0.409091 0.886792
118 NAG GAL GAL NAG 0.409091 0.903846
119 GAL NAG 0.407895 0.846154
120 GAL A2G 0.407895 0.846154
121 GAL NGA 0.407895 0.846154
122 NAG GAL 0.407895 0.846154
123 8VZ 0.407895 0.886792
124 JXD 0.407767 0.7
125 GAL NOK 0.407407 0.875
126 NAG GAL 2NA 0.405941 0.758621
127 LAT NAG GAL 0.404494 0.846154
128 GLC GAL NAG GAL 0.404494 0.846154
129 6ZC 0.402439 0.647059
130 LEC 0.402439 0.647059
131 WZ5 0.402062 0.849057
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HFU; Ligand: MAN MAN; 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: 1hfu.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback