-->
Receptor
PDB id Resolution Class Description Source Keywords
1DL2 1.54 Å EC: 3.2.1.113 CRYSTAL STRUCTURE OF CLASS I ALPHA-1,2-MANNOSIDASE FROM SACC CEREVISIAE AT 1.54 ANGSTROM RESOLUTION SACCHAROMYCES CEREVISIAE ALPHA-ALPHA HELIX BARREL HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A CLASS I ALPHA1,2-MANNOSIDASE IN N-GLYCAN PROCESSING AND ENDOPLASMIC RETICULUM QU CONTROL. EMBO J. V. 19 581 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:901;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GOL A:900;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NDG NAG NDG BMA MAN MAN MAN MAN A:601;
Valid;
none;
submit data n/a n/a n/a n/a
NAG A:700;
Valid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG BMA A:800;
Valid;
none;
submit data
570.545 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DL2 1.54 Å EC: 3.2.1.113 CRYSTAL STRUCTURE OF CLASS I ALPHA-1,2-MANNOSIDASE FROM SACC CEREVISIAE AT 1.54 ANGSTROM RESOLUTION SACCHAROMYCES CEREVISIAE ALPHA-ALPHA HELIX BARREL HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A CLASS I ALPHA1,2-MANNOSIDASE IN N-GLYCAN PROCESSING AND ENDOPLASMIC RETICULUM QU CONTROL. EMBO J. V. 19 581 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1DL2 - NDG NAG NDG BMA MAN MAN MAN MAN n/a n/a
2 1G6I - DMJ C6 H13 N O4 C1[C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DL2 - NDG NAG NDG BMA MAN MAN MAN MAN n/a n/a
2 1G6I - DMJ C6 H13 N O4 C1[C@H]([C....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5KKB - BMA NAG MAN MAN MAN MAN MAN MAN MAN n/a n/a
2 2RI9 Ki = 0.6 mM MMA LDY n/a n/a
3 1KRE - DMJ C6 H13 N O4 C1[C@H]([C....
4 5KIJ - NAG BMA MAN MAN MAN MAN MAN MAN MAN n/a n/a
5 1FO2 ic50 = 20 uM DMJ C6 H13 N O4 C1[C@H]([C....
6 1FO3 ic50 = 0.2 uM KIF C8 H12 N2 O6 C([C@@H]1[....
7 5KK7 - SMD C13 H24 O10 S CO[C@@H]1[....
8 1DL2 - NDG NAG NDG BMA MAN MAN MAN MAN n/a n/a
9 1G6I - DMJ C6 H13 N O4 C1[C@H]([C....
10 1X9D Kd = 110 uM SMD C13 H24 O10 S CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDG NAG NDG BMA MAN MAN MAN MAN; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: NAG; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA 1 1
2 NAG 1 1
3 A2G 1 1
4 BM3 1 1
5 HSQ 1 1
6 NDG 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 STZ 0.612245 0.65
11 4QY 0.591837 0.735849
12 BMX 0.591837 0.735849
13 16G 0.591837 0.735849
14 9C1 0.58 0.886364
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NDG NAG 0.54386 0.833333
18 CBS 0.54386 0.833333
19 NAG GDL 0.54386 0.833333
20 CBS CBS 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 MAG 0.530612 0.909091
24 2F8 0.530612 0.909091
25 NDG GAL 0.517857 0.888889
26 NLC 0.517857 0.888889
27 GAL NDG 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 4UZ 0.508475 0.808511
32 NAG NAG NAG NAG NDG 0.508197 0.816327
33 NDG NAG NAG NAG 0.508197 0.816327
34 NAG NAG NDG 0.508197 0.816327
35 NAG NAG NDG NAG 0.508197 0.816327
36 CTO 0.508197 0.816327
37 NDG NAG NAG NDG 0.508197 0.816327
38 NAG NAG NAG NDG 0.508197 0.816327
39 NDG NAG NAG 0.508197 0.816327
40 NAG NAG NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 MQG 0.5 0.698113
44 NBG 0.5 0.951219
45 GAL NGA 0.491228 0.888889
46 A2G GAL 0.491228 0.888889
47 GAL A2G 0.491228 0.888889
48 AMU 0.490909 0.930233
49 NG1 0.490566 0.754717
50 GN1 0.490566 0.754717
51 NAG GAL 0.474576 0.888889
52 GAL NAG 0.474576 0.888889
53 NAG FUC 0.474576 0.866667
54 NAG GAL NAG 0.455882 0.833333
55 3YW 0.448276 0.930233
56 GLA GAL NAG 0.446154 0.888889
57 MAN BMA NAG 0.446154 0.888889
58 NGA GAL 0.428571 0.869565
59 FUC GAL NAG 0.426471 0.869565
60 GAL NAG FUC 0.426471 0.869565
61 DR2 0.426471 0.869565
62 NAG GAL FUC 0.426471 0.869565
63 NDG GAL FUC 0.426471 0.869565
64 FUC GAL NDG 0.426471 0.869565
65 FUL GAL NAG 0.426471 0.869565
66 G6S NAG 0.426471 0.645161
67 TNR 0.42623 0.833333
68 GYU 0.42623 0.740741
69 GAL NGA A2G 0.424242 0.833333
70 NAG BDP 0.421875 0.851064
71 NAG MBG 0.419355 0.851064
72 NGA GAL BGC 0.41791 0.888889
73 NAG NDG 0.415385 0.784314
74 NAG NAG 0.415385 0.784314
75 AZC 0.415094 0.795918
76 SN5 SN5 0.412698 0.705882
77 A2G MBG 0.412698 0.851064
78 MBG A2G 0.412698 0.851064
79 HS2 0.411765 0.8125
80 5AX 0.411765 0.866667
81 NAG MAN BMA 0.411765 0.888889
82 6ZC 0.409091 0.655738
83 LEC 0.409091 0.655738
84 TCG 0.408451 0.689655
85 GAL BGC NAG GAL 0.408451 0.888889
86 NAG MAN 0.40625 0.851064
87 WOO 0.404762 0.7
88 MAN 0.404762 0.7
89 GAL 0.404762 0.7
90 BGC 0.404762 0.7
91 BMA 0.404762 0.7
92 GLA 0.404762 0.7
93 ALL 0.404762 0.7
94 GLC 0.404762 0.7
95 GXL 0.404762 0.7
96 GIV 0.404762 0.7
97 NAG AMU 0.402778 0.8
98 NAG MUB 0.402778 0.8
99 NAG A2G GAL 0.402778 0.833333
100 A2G GAL FUC 0.4 0.869565
101 FUC GLA A2G 0.4 0.869565
102 DR3 0.4 0.869565
103 A2G GLA FUC 0.4 0.869565
104 NGA GAL FUC 0.4 0.869565
105 FUC GAL A2G 0.4 0.869565
Ligand no: 3; Ligand: NAG NAG BMA; Similar ligands found: 198
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NAG BMA 1 1
2 NAG NDG BMA 1 1
3 NAG NAG BMA MAN 0.88 1
4 NAG NAG NAG 0.830986 0.981132
5 NAG NAG NAG NAG 0.830986 0.981132
6 NAG BMA 0.80303 0.923077
7 NAG NAG BMA BMA 0.779221 0.962963
8 NAG NAG 0.732394 0.980769
9 NAG NDG 0.732394 0.980769
10 NAG NAG BMA MAN NAG 0.719101 0.981132
11 NAG NAG BMA MAN MAN MAN MAN 0.6875 1
12 GAL NAG GAL 0.679487 0.903846
13 GAL NAG GAL BGC 0.670732 0.903846
14 GAL NAG MAN 0.649351 0.865385
15 NAG GAL GAL NAG GAL 0.621951 0.923077
16 NAG NAG BMA MAN MAN NAG NAG 0.616162 0.981132
17 GAL NAG GAL NAG GAL NAG 0.60241 0.90566
18 NAG GAL GAL NAG 0.60241 0.923077
19 LAT NAG GAL 0.595238 0.865385
20 GLC GAL NAG GAL 0.595238 0.865385
21 NAG NAG FUL BMA MAN MAN NAG GAL 0.584906 0.981132
22 GAL NDG 0.567568 0.865385
23 NLC 0.567568 0.865385
24 NDG GAL 0.567568 0.865385
25 NDG NAG NAG NDG 0.556962 0.90566
26 CTO 0.556962 0.90566
27 NAG NAG NAG NAG NAG NAG 0.556962 0.90566
28 NAG NAG NAG NDG 0.556962 0.90566
29 NAG NAG NDG NAG 0.556962 0.90566
30 NAG NAG NAG NAG NAG NAG NAG NAG 0.556962 0.90566
31 NAG NAG NAG NAG NAG 0.556962 0.90566
32 NDG NAG NAG NAG 0.556962 0.90566
33 NAG NAG NDG 0.556962 0.90566
34 NDG NAG NAG 0.556962 0.90566
35 NAG NAG NAG NAG NDG 0.556962 0.90566
36 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.555556 0.942308
37 8VZ 0.546667 0.90566
38 NAG NAG BMA MAN MAN 0.536842 0.923077
39 FUC BGC GAL NAG GAL 0.536842 0.884615
40 NOJ NAG NAG 0.522727 0.910714
41 Z4S NAG NAG 0.522727 0.842105
42 NOJ NAG NAG NAG 0.522727 0.894737
43 FUC C4W NAG BMA 0.520833 0.857143
44 NGA GAL BGC 0.518072 0.865385
45 FUC NAG GAL 0.517647 0.961538
46 NAG MAN BMA MAN NAG GAL 0.51 0.923077
47 NAG GDL 0.506329 0.923077
48 CBS CBS 0.506329 0.923077
49 NDG NAG 0.506329 0.923077
50 CBS 0.506329 0.923077
51 MAN BMA NAG 0.506024 0.865385
52 GLA GAL NAG 0.506024 0.865385
53 TCG 0.505747 0.774194
54 MAN BMA NAG NAG MAN NAG GAL GAL 0.490196 0.90566
55 NAG MAN MAN MAN NAG GAL NAG GAL 0.490196 0.90566
56 MBG A2G 0.481481 0.867925
57 A2G MBG 0.481481 0.867925
58 NAG GAL NAG 0.477273 0.923077
59 NAG NAG BMA MAN MAN NAG GAL NAG 0.476636 0.90566
60 FUC C4W NAG BMA MAN 0.47619 0.857143
61 BMA BMA 0.472973 0.653846
62 BGC BGC 0.472973 0.653846
63 GAL BGC NAG GAL 0.47191 0.865385
64 G2F BGC BGC BGC BGC BGC 0.469136 0.607143
65 GAL A2G 0.468354 0.865385
66 GAL NGA 0.468354 0.865385
67 A2G GAL 0.468354 0.865385
68 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.46789 0.923077
69 NGA GLA GAL BGC 0.467391 0.865385
70 NAG MAN BMA NDG MAN NAG GAL 0.46729 0.90566
71 GAL NOK 0.464286 0.859649
72 NAG GAL BGC 0.460674 0.865385
73 SIA GAL NAG 0.457944 0.945455
74 NGA GAL 0.457831 0.884615
75 NAG NAG NGT 0.457447 0.761905
76 BGC GAL NAG GAL 0.450549 0.865385
77 GAL NAG GAL GLC 0.450549 0.865385
78 GAL MGC 0.45 0.867925
79 GAL NGA GLA BGC GAL 0.446809 0.865385
80 DLD 0.445652 0.803279
81 FUC NAG GLA GAL 0.443299 0.903846
82 NAG AMU NAG AMV 0.443299 0.872727
83 GAL NAG 0.439024 0.865385
84 NAG GAL 0.439024 0.865385
85 G6S NAG 0.438202 0.676471
86 FUC NAG 0.435294 0.942308
87 3QL 0.431818 0.857143
88 GLA NAG GAL FUC 0.431579 0.884615
89 GAL NAG GAL FUC 0.431579 0.884615
90 5AX 0.430556 0.846154
91 AO3 0.43 0.695652
92 NAA NAA AMI 0.43 0.695652
93 NAG BMA NAG MAN MAN NAG NAG 0.429907 0.90566
94 MAN MAN NAG 0.428571 0.903846
95 6Y2 0.427083 0.705882
96 GAL NDG FUC 0.426966 0.884615
97 FUC NDG GAL 0.426966 0.884615
98 GLC GLC XYP 0.423529 0.634615
99 NAG FUC 0.421687 0.846154
100 DR5 0.421053 0.641509
101 MMA MAN 0.421053 0.641509
102 NAG A2G GAL 0.419355 0.923077
103 LAT GLA 0.418919 0.634615
104 FUC C4W NAG BMA MAN NAG 0.417391 0.857143
105 NAG A2G 0.416667 0.923077
106 NAG NGA 0.416667 0.923077
107 NAG BMA MAN MAN MAN MAN 0.415842 0.865385
108 UMG 0.413462 0.8
109 N9S 0.413333 0.634615
110 MAB 0.413333 0.634615
111 CBK 0.413333 0.634615
112 GLA GLA 0.413333 0.634615
113 B2G 0.413333 0.634615
114 GLC GAL 0.413333 0.634615
115 LBT 0.413333 0.634615
116 LAT 0.413333 0.634615
117 BGC BMA 0.413333 0.634615
118 CBI 0.413333 0.634615
119 GLA GAL 0.413333 0.634615
120 MAL 0.413333 0.634615
121 BMA GAL 0.413333 0.634615
122 BGC GAL 0.413333 0.634615
123 GAL BGC 0.413333 0.634615
124 GAL GC2 0.413043 0.742424
125 MAG FUC GAL 0.411111 0.851852
126 NAG MAN BMA 0.411111 0.865385
127 M5G 0.410714 0.923077
128 BGC GLC GLC 0.410256 0.634615
129 BGC BGC BGC GLC 0.410256 0.634615
130 MTT 0.410256 0.634615
131 BGC BGC BGC 0.410256 0.634615
132 BGC BGC GLC 0.410256 0.634615
133 MAN MAN BMA BMA BMA BMA 0.410256 0.634615
134 GLC BGC BGC BGC 0.410256 0.634615
135 GLC BGC BGC BGC BGC 0.410256 0.634615
136 BGC BGC BGC BGC BGC 0.410256 0.634615
137 GLC BGC BGC BGC BGC BGC 0.410256 0.634615
138 GLC GAL GAL 0.410256 0.634615
139 BMA BMA BMA 0.410256 0.634615
140 CTR 0.410256 0.634615
141 GLA GAL BGC 0.410256 0.634615
142 BGC GLC GLC GLC GLC GLC GLC 0.410256 0.634615
143 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.410256 0.634615
144 CE5 0.410256 0.634615
145 CE6 0.410256 0.634615
146 MAN BMA BMA 0.410256 0.634615
147 BMA MAN BMA 0.410256 0.634615
148 GLC GLC GLC GLC GLC 0.410256 0.634615
149 CEX 0.410256 0.634615
150 MT7 0.410256 0.634615
151 BMA BMA BMA BMA BMA BMA 0.410256 0.634615
152 CTT 0.410256 0.634615
153 B4G 0.410256 0.634615
154 CEY 0.410256 0.634615
155 MAN BMA BMA BMA BMA BMA 0.410256 0.634615
156 BGC BGC BGC BGC BGC BGC 0.410256 0.634615
157 BGC GLC GLC GLC 0.410256 0.634615
158 BGC BGC BGC BGC 0.410256 0.634615
159 GLC BGC GLC 0.410256 0.634615
160 CT3 0.410256 0.634615
161 DXI 0.410256 0.634615
162 GAL NAG SIA GAL 0.410256 0.909091
163 GLC BGC BGC 0.410256 0.634615
164 GLA GAL GLC 0.410256 0.634615
165 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.410256 0.634615
166 BMA BMA BMA BMA BMA 0.410256 0.634615
167 BGC GLC GLC GLC GLC 0.410256 0.634615
168 MAN BMA BMA BMA BMA 0.410256 0.634615
169 GAL GAL GAL 0.410256 0.634615
170 MLR 0.410256 0.634615
171 CE8 0.410256 0.634615
172 GLC GLC BGC 0.410256 0.634615
173 FUC C4W NAG BMA MAN MAN NAG 0.409836 0.857143
174 NAG GCU NAG GCD 0.409091 0.859649
175 NAG MAN 0.406977 0.867925
176 GAL NAG FUC 0.406593 0.884615
177 FUC GAL NDG 0.406593 0.884615
178 DR2 0.406593 0.884615
179 FUC GAL NAG 0.406593 0.884615
180 FUL GAL NAG 0.406593 0.884615
181 NAG GAL FUC 0.406593 0.884615
182 NDG GAL FUC 0.406593 0.884615
183 FUC GAL NAG A2G 0.405941 0.90566
184 A2G GAL NAG FUC 0.405941 0.90566
185 8VW 0.405941 0.842105
186 NDG BDP BDP NPO NDG 0.405405 0.705882
187 GLA EGA 0.405063 0.641509
188 GAL NGA A2G 0.404494 0.923077
189 AH0 NAG 0.404255 0.827586
190 GAL LOG 0.402299 0.741935
191 NGA GAL FUC 0.402174 0.884615
192 FUC GAL A2G 0.402174 0.884615
193 FUC GLA A2G 0.402174 0.884615
194 A2G GLA FUC 0.402174 0.884615
195 A2G GAL FUC 0.402174 0.884615
196 NA1 NAA AMI 0.401869 0.685714
197 NAG MBG 0.4 0.867925
198 FUC BGC GAL NAG 0.4 0.884615
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DL2; Ligand: NAG NAG BMA; Similar sites found with APoc: 52
This union binding pocket(no: 1) in the query (biounit: 1dl2.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4JNE ATP 1.36986
2 4YKG FAD 1.56556
3 3WBF NAP 1.63934
4 3G5N PB2 1.89076
5 2AMV BIN 1.95695
6 3HDY GDU 2.01511
7 3HDY FDA 2.01511
8 5EEH SAH 2.12766
9 5EEH P9P 2.12766
10 3E7O 35F 2.22222
11 6H3O FAD 2.34834
12 1SW0 PGA 2.41935
13 6B2M COA 2.44755
14 5EQY 5RA 2.54403
15 5OSW AE4 2.73973
16 2Q46 NAP 2.7668
17 1HG4 LPP 2.86738
18 5IKH 6BW 2.93542
19 3NTA COA 2.93542
20 1KOR ANP 3.5
21 1KOR SIN 3.5
22 1KOR ARG 3.5
23 6BVE PGA 3.67347
24 5ZKC 3C0 4.038
25 3P7I P7I 4.04984
26 5LLT DND 4.22535
27 1ZVX FIN 4.29448
28 2EVL GAL SPH EIC 4.30622
29 4E70 N7I 4.38144
30 4XCL AGS 4.6332
31 1VB3 KPA 4.89237
32 4M0R 644 5.01319
33 4YMZ 13P 5.57769
34 3KPB SAM 5.7377
35 2R0N FAD 6.09137
36 2VCN ISZ 6.13027
37 2XVF FAD 6.25
38 4B7P 9UN 6.52174
39 4EKQ NPO 6.95187
40 2BTM PGA 7.14286
41 2P4Y C03 7.22022
42 2VZZ SCA 7.33945
43 5CSD ACD 7.54717
44 3KXC PLM 8.76289
45 4ZGR NGA GAL 9.31174
46 5L9O GOP 9.32836
47 5EYW PGA 10.4418
48 1PZ4 PLM 11.2069
49 3KP6 SAL 12.5828
50 4NAT ADP 13.75
51 1QDS PGA 17.1315
52 4ELG 52J 21.0843
Pocket No.: 2; Query (leader) PDB : 1DL2; Ligand: NAG; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 1dl2.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 2E22 MAN 2.15264
2 6BXL SAM 2.6455
3 2UXR ICT 3.23383
4 4NG2 OHN 3.80435
5 3RDE OYP 4.30528
6 1XKD ICT 4.82759
APoc FAQ
Feedback