Receptor
PDB id Resolution Class Description Source Keywords
2I74 1.75 Å EC: 3.5.1.52 CRYSTAL STRUCTURE OF MOUSE PEPTIDE N-GLYCANASE C-TERMINAL DO COMPLEX WITH MANNOPENTAOSE MUS MUSCULUS BETA-SANDWICH HYDROLASE
Ref.: STRUCTURAL AND BIOCHEMICAL STUDIES OF THE C-TERMINA OF MOUSE PEPTIDE-N-GLYCANASE IDENTIFY IT AS A MANNOSE-BINDING MODULE. PROC.NATL.ACAD.SCI.USA V. 103 17214 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:11;
A:14;
A:9;
B:10;
B:12;
B:13;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GOL A:15;
A:17;
B:16;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MAN MAN MAN MAN A:1;
B:5;
Valid;
Valid;
none;
none;
Kd ~ 67 uM
666.579 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2I74 1.75 Å EC: 3.5.1.52 CRYSTAL STRUCTURE OF MOUSE PEPTIDE N-GLYCANASE C-TERMINAL DO COMPLEX WITH MANNOPENTAOSE MUS MUSCULUS BETA-SANDWICH HYDROLASE
Ref.: STRUCTURAL AND BIOCHEMICAL STUDIES OF THE C-TERMINA OF MOUSE PEPTIDE-N-GLYCANASE IDENTIFY IT AS A MANNOSE-BINDING MODULE. PROC.NATL.ACAD.SCI.USA V. 103 17214 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2I74 Kd ~ 67 uM MAN MAN 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 3 families.
1 2I74 Kd ~ 67 uM MAN MAN MAN MAN 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 3 families.
1 2I74 Kd ~ 67 uM MAN MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MAN MAN MAN; Similar ligands found: 177
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN BMA MAN 1 1
2 MAN MAN MAN MAN 1 1
3 MAN BMA MAN MAN MAN 0.852459 1
4 M5S 0.852459 1
5 MAN MAN MAN BMA MAN 0.80303 1
6 MAN MAN MAN 0.736842 1
7 GLC GLC GLC GLC GLC BGC 0.736842 1
8 GLC GLC GLC 0.736842 1
9 GLC GLC GLC GLC BGC 0.736842 1
10 MLB 0.732143 1
11 GLA BGC 0.732143 1
12 MAN BMA 0.732143 1
13 BMA GLA 0.732143 1
14 GLA GLC 0.732143 1
15 GAL GAL 0.732143 1
16 GLA BMA 0.732143 1
17 BGC GLA 0.732143 1
18 LAK 0.732143 1
19 GLC GLC GLC GLC 0.730159 1
20 MAN MMA MAN 0.703125 0.942857
21 MAN MAN MAN BMA MAN MAN MAN 0.675325 0.942857
22 GLC GLC GLC GLC GLC GLC 0.656716 1
23 NAG BMA MAN MAN MAN MAN 0.625 0.733333
24 WZ3 0.611111 0.916667
25 GLC GLC GLC BGC 0.591549 1
26 NAG BMA MAN MAN MAN MAN MAN 0.589744 0.868421
27 FUB AHR AHR 0.583333 0.857143
28 AHR AHR AHR 0.583333 0.857143
29 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.561798 0.733333
30 AHR AHR 0.559322 0.857143
31 FUB AHR 0.559322 0.857143
32 BMA BMA GLA BMA BMA 0.540541 1
33 MAN H1M MAN 0.533333 0.868421
34 GLC BGC BGC BGC BGC BGC BGC 0.530303 1
35 BGC BGC BGC GLC BGC BGC 0.530303 1
36 BGC BGC BGC BGC BGC 0.530303 1
37 GLC BGC BGC BGC 0.530303 1
38 BGC BGC BGC 0.530303 1
39 BGC BGC BGC ASO BGC BGC ASO 0.530303 1
40 1GN ACY GAL ACY 1GN BGC GAL BGC 0.528736 0.6875
41 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.528736 0.825
42 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.528736 0.6875
43 NAG NAG BMA MAN MAN 0.52809 0.6875
44 MAN MAN NAG MAN NAG 0.52809 0.6875
45 M5G 0.525773 0.6875
46 LB2 0.52381 1
47 M3M 0.52381 1
48 MAN GLC 0.52381 1
49 BMA NGT MAN MAN 0.523256 0.66
50 GLA GAL BGC 0.521739 1
51 GLA GAL GAL 0.521739 1
52 GAL GAL SO4 0.521127 0.702128
53 MAN MMA 0.507692 0.942857
54 BGC BGC BGC BGC BGC BGC BGC BGC 0.493151 1
55 BGC BGC BGC BGC 0.493151 1
56 BMA BMA MAN 0.492537 0.970588
57 M13 0.484848 0.942857
58 MDM 0.484848 0.942857
59 GAL MBG 0.484848 0.942857
60 WZ5 0.483516 0.702128
61 P3M 0.48 0.767442
62 BGC BMA 0.476923 1
63 GLC GAL 0.476923 1
64 LBT 0.476923 1
65 GLC BGC 0.476923 1
66 GLA GAL 0.476923 1
67 MAB 0.476923 1
68 BMA BMA 0.476923 1
69 BGC GAL 0.476923 1
70 LAT 0.476923 1
71 N9S 0.476923 1
72 CBI 0.476923 1
73 GLA GLA 0.476923 1
74 BGC GLC 0.476923 1
75 B2G 0.476923 1
76 GAL GLC 0.476923 1
77 CBK 0.476923 1
78 GAL BGC 0.476923 1
79 MAL 0.476923 1
80 BMA GAL 0.476923 1
81 MAL MAL 0.476923 0.970588
82 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.470588 0.6875
83 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.469388 0.673469
84 MAN MAN MAN GLC 0.466667 1
85 BMA BMA BMA BMA BMA BMA MAN 0.464789 0.970588
86 MAN BMA BMA BMA BMA BMA 0.464789 0.970588
87 BGC BGC GLC 0.464789 1
88 OPM MAN MAN 0.4625 0.804878
89 BMA MAN MAN 0.458333 1
90 GLC GAL GAL 0.449275 1
91 MAN MAN BMA BMA BMA BMA 0.449275 1
92 GLC BGC GLC 0.449275 1
93 BGC GLC GLC GLC GLC 0.449275 1
94 GLA GAL GLC 0.449275 1
95 GLC BGC BGC BGC BGC BGC 0.449275 1
96 MAN BMA BMA 0.449275 1
97 BGC GLC GLC 0.449275 1
98 CEY 0.449275 1
99 DXI 0.449275 1
100 BMA BMA BMA BMA BMA 0.449275 1
101 MLR 0.449275 1
102 CEX 0.449275 1
103 CTT 0.449275 1
104 B4G 0.449275 1
105 GLC GLC GLC GLC GLC GLC GLC 0.449275 1
106 GLC GLC BGC 0.449275 1
107 CTR 0.449275 1
108 BMA BMA BMA 0.449275 1
109 GLC GLC GLC GLC GLC 0.449275 1
110 CT3 0.449275 1
111 GLC GLC BGC GLC GLC GLC GLC 0.449275 1
112 GLC BGC BGC 0.449275 1
113 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.449275 1
114 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.449275 1
115 GLC BGC BGC BGC BGC 0.449275 1
116 BMA MAN BMA 0.449275 1
117 CE5 0.449275 1
118 MTT 0.449275 1
119 BGC GLC GLC GLC 0.449275 1
120 CE8 0.449275 1
121 BGC GLC GLC GLC GLC GLC GLC 0.449275 1
122 BMA BMA BMA BMA BMA BMA 0.449275 1
123 GAL GAL GAL 0.449275 1
124 MAN BMA BMA BMA BMA 0.449275 1
125 BGC BGC BGC GLC 0.449275 1
126 BGC BGC BGC BGC BGC BGC 0.449275 1
127 GLC GLC GLC GLC GLC GLC GLC GLC 0.449275 1
128 MT7 0.449275 1
129 CE6 0.449275 1
130 KDO MAN MAN MAN MAN MAN 0.446602 0.868421
131 NAG MAN BMA 0.440476 0.733333
132 NAG MAN MAN 0.440476 0.733333
133 2M4 0.439394 1
134 MAN MAN 0.439394 1
135 BGC BGC 0.439394 1
136 NAG NAG BMA MAN MAN MAN MAN 0.433962 0.634615
137 NAG MAN GAL MAN MAN NAG GAL 0.431579 0.6875
138 MAN MAN MAN MAN MAN MAN MAN MAN 0.430108 0.846154
139 GAL FUC 0.428571 0.941176
140 CGC 0.424658 0.941176
141 TRE 0.423729 1
142 GAL BGC NAG GAL 0.423529 0.733333
143 6SA 0.423077 0.733333
144 GLA EGA 0.422535 0.942857
145 GLC BGC BGC BGC XYS BGC XYS XYS 0.422222 0.916667
146 GAL BGC BGC XYS 0.421687 0.942857
147 NAG MAN GAL BMA NDG MAN NAG GAL 0.42 0.673469
148 NAG MAN GAL BMA NAG MAN NAG GAL 0.42 0.673469
149 NAG MAN MAN MAN NAG GAL NAG GAL 0.42 0.673469
150 MAN BMA NAG NAG MAN NAG GAL GAL 0.42 0.673469
151 NAG GAL GAL 0.419753 0.733333
152 GLA GAL NAG 0.419753 0.733333
153 MAN BMA NAG 0.419753 0.733333
154 GLC GLC BGC XYS BGC XYS 0.418605 0.942857
155 RAF 0.417722 0.891892
156 FRU GLC GLA 0.417722 0.891892
157 MAN MAN BMA 0.416667 1
158 IAB 0.414141 0.733333
159 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.413223 0.611111
160 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.413223 0.611111
161 BGC BGC XYS BGC 0.411765 0.942857
162 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.409836 0.611111
163 AXR BXY BXY BXX 0.409639 0.789474
164 BGC BGC BGC XYS BGC BGC 0.409091 0.942857
165 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.409091 0.942857
166 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.409091 0.942857
167 U63 0.408451 0.891892
168 GLA GLA FUC 0.402597 0.970588
169 FUC GAL GLA 0.402597 0.970588
170 GLA GAL FUC 0.402597 0.970588
171 FUC GLA GLA 0.402597 0.970588
172 GAL GAL FUC 0.402597 0.970588
173 GAL NAG GAL BGC 0.402299 0.733333
174 LAT NAG GAL 0.402299 0.733333
175 BGC GAL NAG GAL 0.402299 0.733333
176 NAG MAN BMA NDG MAN NAG GAL 0.4 0.673469
177 T6P 0.4 0.767442
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2I74; Ligand: MAN MAN MAN MAN; Similar sites found: 64
This union binding pocket(no: 1) in the query (biounit: 2i74.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QKQ MAN 0.00002638 0.53829 None
2 2YMZ LAT 0.00008588 0.50386 None
3 3I8T LBT 0.00001377 0.42656 None
4 1KJ1 MAN 0.004283 0.41473 None
5 1A8U BEZ 0.005267 0.41653 1.5873
6 2IUW AKG 0.008566 0.41334 1.5873
7 3KA2 2NC 0.01465 0.44575 2.6455
8 2P1M IHP 0.03969 0.40033 2.6936
9 1SDW IYT 0.001568 0.40872 3.1746
10 4YZC STU 0.04768 0.40384 3.1746
11 2OAZ I96 0.02955 0.40172 3.1746
12 3ZJX BOG 0.014 0.40006 3.1746
13 3NV3 GAL NAG MAN 0.0002448 0.42418 3.62319
14 1C1L GAL BGC 0.0008835 0.46375 3.64964
15 1F8I GLV 0.007045 0.40656 3.7037
16 1GP6 SIN 0.0322 0.40487 3.7037
17 1GP6 QUE 0.03412 0.40487 3.7037
18 3EBL GA4 0.02775 0.40158 3.7037
19 2VDY HCY 0.01212 0.40079 3.7037
20 4YLZ LAT NAG GAL 0.008829 0.40768 3.92157
21 3FW4 CAQ 0.038 0.40078 3.93258
22 3S43 478 0.007626 0.44279 4.0404
23 4WVW SLT 0.0006673 0.4666 4.16667
24 1ZM1 BGC BGC BGC 0.006115 0.4292 4.2328
25 4MP8 NAD 0.02945 0.42103 4.2328
26 3WUC GLC GAL 0.01482 0.41984 4.2328
27 5H2D ERG 0.0335 0.40077 4.2328
28 4KCF AKM 0.005945 0.44214 4.40529
29 3WV6 GAL GLC 0.0001328 0.49922 4.7619
30 3WV6 GAL BGC 0.0003302 0.47738 4.7619
31 2H04 4UN 0.01135 0.41827 4.7619
32 5T96 79J 0.0123 0.40568 4.97076
33 5H9Q TD2 0.0004441 0.47316 5.16129
34 3OYW TDG 0.00404 0.41459 5.22388
35 1GZW GAL BGC 0.007271 0.40387 5.22388
36 1W6P NDG GAL 0.00809 0.40133 5.22388
37 1YKD CMP 0.005487 0.43412 5.29101
38 4Q0L V14 0.02618 0.41103 5.29101
39 3T1A 5MA 0.02199 0.40558 5.29101
40 3VV1 GAL FUC 0.001208 0.41257 5.625
41 5NFB 8VT 0.001347 0.4232 5.68182
42 3W68 VIV 0.02976 0.40286 5.82011
43 1SLT NDG GAL 0.00158 0.40855 5.97015
44 5GLT BGC GAL NAG GAL 0.0008587 0.41799 5.98592
45 3ZXE PGZ 0.007271 0.40067 6.01504
46 5H9P TD2 0.005569 0.40856 6.32911
47 2I7N ACO 0.02071 0.40894 6.34921
48 1A78 TDG 0.0009149 0.46379 6.71642
49 3RYC GTP 0.01993 0.42302 6.99301
50 3RYC GDP 0.03726 0.40062 6.99301
51 3GGU 017 0.01763 0.42171 7.07071
52 5DG2 GAL GLC 0.0001055 0.49627 7.40741
53 4QDC ASD 0.01008 0.41861 7.40741
54 5HES 032 0.0169 0.41488 7.40741
55 4BVA T3 0.04927 0.40823 7.40741
56 1CHM CMS 0.01236 0.40035 7.98005
57 3M3E GAL A2G NPO 0.004861 0.41974 8.07453
58 4OYA 1VE 0.045 0.4255 9.52381
59 5TV6 PML 0.005546 0.40214 9.52381
60 1WW5 SGA BGC 0.0122 0.40102 10.0529
61 2D6M LBT 0.0003702 0.41749 10.0629
62 5T7I LAT NAG GAL 0.004602 0.42149 14.1935
63 1JQI FAD 0.04511 0.40823 16.4021
64 4K49 HFQ 0.0431 0.40553 17.6471
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