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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(CC1...
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: 167
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN MAN MAN 1 1
2 MAN MAN BMA MAN 1 1
3 M5S 0.852459 1
4 MAN BMA MAN MAN MAN 0.852459 1
5 MAN MAN MAN BMA MAN 0.80303 1
6 MAN BMA MAN 0.754098 1
7 GLC GLC GLC GLC BGC 0.736842 1
8 BMA MAN MAN 0.736842 1
9 GLC GLC GLC 0.736842 1
10 MAN MAN MAN 0.736842 1
11 GLC GLC GLC GLC GLC BGC 0.736842 1
12 GLC GLC 0.732143 1
13 GLA GLC 0.732143 1
14 GAL GAL 0.732143 1
15 BGC GLC 0.732143 1
16 BMA MAN 0.732143 1
17 GLC BGC 0.732143 1
18 BGC GLA 0.732143 1
19 MLB 0.732143 1
20 GAL GLC 0.732143 1
21 MAN MAN 0.732143 1
22 GLA BGC 0.732143 1
23 MAN BMA 0.732143 1
24 GLA BMA 0.732143 1
25 LAK 0.732143 1
26 BMA GLA 0.732143 1
27 MAN MMA MAN 0.703125 0.942857
28 MAN MAN MAN BMA MAN MAN MAN 0.675325 0.942857
29 WZ3 0.611111 0.916667
30 MAN MAN MAN MAN MAN MAN MAN 0.61039 1
31 GLC GLC GLC BGC 0.591549 1
32 NAG BMA MAN MAN MAN MAN MAN 0.589744 0.868421
33 FUB AHR AHR 0.583333 0.857143
34 AHR AHR AHR AHR AHR AHR 0.583333 0.857143
35 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.561798 0.733333
36 FUB AHR 0.559322 0.857143
37 AHR AHR 0.559322 0.857143
38 BMA MAN MAN MAN MAN 0.546667 1
39 BMA BMA GLA BMA BMA 0.540541 1
40 GLC BGC BGC BGC BGC BGC BGC 0.530303 1
41 BGC BGC BGC GLC BGC BGC 0.530303 1
42 1GN ACY GAL ACY 1GN BGC GAL BGC 0.528736 0.6875
43 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.528736 0.6875
44 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.528736 0.825
45 NAG NAG BMA MAN MAN 0.52809 0.6875
46 M5G 0.525773 0.6875
47 LB2 0.52381 1
48 M3M 0.52381 1
49 NGR 0.52381 1
50 MAN GLC 0.52381 1
51 BMA NGT MAN MAN 0.523256 0.66
52 GLA GAL GAL 0.521739 1
53 GAL GAL SO4 0.513889 0.66
54 NAG BMA MAN MAN MAN MAN 0.511364 0.733333
55 MAN MMA 0.507692 0.942857
56 BGC BGC BGC BGC BGC BGC BGC BGC 0.493151 1
57 M13 0.484848 0.942857
58 GAL MBG 0.484848 0.942857
59 MDM 0.484848 0.942857
60 WZ5 0.483516 0.702128
61 P3M 0.48 0.767442
62 CBI 0.476923 1
63 GLA GLA 0.476923 1
64 GLC GAL 0.476923 1
65 BGC GAL 0.476923 1
66 BGC BMA 0.476923 1
67 LAT 0.476923 1
68 CBK 0.476923 1
69 MAB 0.476923 1
70 GAL BGC 0.476923 1
71 BMA GAL 0.476923 1
72 N9S 0.476923 1
73 MAL 0.476923 1
74 B2G 0.476923 1
75 GLA GAL 0.476923 1
76 LBT 0.476923 1
77 BQZ 0.47541 0.909091
78 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.470588 0.6875
79 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.469388 0.673469
80 MAN MAN MAN GLC 0.466667 1
81 OPM MAN MAN 0.4625 0.804878
82 BMA MAN MAN MAN 0.452055 1
83 BGC BGC BGC BGC 0.449275 1
84 CE6 0.449275 1
85 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.449275 1
86 MAN BMA BMA BMA BMA 0.449275 1
87 BMA MAN BMA 0.449275 1
88 MT7 0.449275 1
89 MAN MAN BMA BMA BMA BMA 0.449275 1
90 MAN BMA BMA 0.449275 1
91 MLR 0.449275 1
92 GLC BGC BGC BGC BGC 0.449275 1
93 BGC GLC GLC 0.449275 1
94 DXI 0.449275 1
95 BGC BGC BGC BGC BGC 0.449275 1
96 GLC BGC GLC 0.449275 1
97 BMA BMA BMA BMA BMA 0.449275 1
98 GLA GAL BGC 0.449275 1
99 GLC BGC BGC BGC 0.449275 1
100 CEY 0.449275 1
101 BGC GLC GLC GLC GLC GLC GLC 0.449275 1
102 B4G 0.449275 1
103 CE5 0.449275 1
104 GLC BGC BGC 0.449275 1
105 GLC GLC BGC 0.449275 1
106 CTT 0.449275 1
107 BMA BMA BMA BMA BMA BMA 0.449275 1
108 BGC BGC BGC 0.449275 1
109 GLC GLC GLC GLC GLC 0.449275 1
110 CEX 0.449275 1
111 BGC BGC GLC 0.449275 1
112 GLC GAL GAL 0.449275 1
113 GLC BGC BGC BGC BGC BGC 0.449275 1
114 BGC BGC BGC GLC 0.449275 1
115 CT3 0.449275 1
116 CE8 0.449275 1
117 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.449275 1
118 GAL GAL GAL 0.449275 1
119 BGC GLC GLC GLC GLC 0.449275 1
120 MTT 0.449275 1
121 MAN BMA BMA BMA BMA BMA 0.449275 1
122 CTR 0.449275 1
123 BGC BGC BGC BGC BGC BGC 0.449275 1
124 BMA BMA BMA 0.449275 1
125 BGC GLC GLC GLC 0.449275 1
126 GLA GAL GLC 0.449275 1
127 KDO MAN MAN MAN MAN MAN 0.446602 0.868421
128 NAG MAN MAN 0.440476 0.733333
129 2M4 0.439394 1
130 NAG NAG BMA MAN MAN MAN MAN 0.433962 0.634615
131 STW 0.43038 0.891892
132 MAN MAN MAN MAN MAN MAN MAN MAN 0.430108 0.846154
133 GAL FUC 0.428571 0.941176
134 CGC 0.424658 0.941176
135 TRE 0.423729 1
136 GAL BGC NAG GAL 0.423529 0.733333
137 6SA 0.423077 0.733333
138 GLA EGA 0.422535 0.942857
139 GAL BGC BGC XYS 0.421687 0.942857
140 NAG MAN MAN MAN NAG GAL NAG GAL 0.42 0.673469
141 MAN BMA NAG NAG MAN NAG GAL GAL 0.42 0.673469
142 GLA GAL NAG 0.419753 0.733333
143 MAN BMA NAG 0.419753 0.733333
144 NAG A2G GAL 0.418605 0.6875
145 RAF 0.417722 0.891892
146 BMA BMA MAN 0.416667 1
147 MAN MAN BMA 0.416667 1
148 IAB 0.414141 0.733333
149 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.413223 0.611111
150 BGC BGC XYS BGC 0.411765 0.942857
151 BMA Z4Y NAG 0.411111 0.717391
152 MAN MNM 0.410959 0.702128
153 NAG MAN BMA MAN NAG GAL 0.41 0.6875
154 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.409091 0.942857
155 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.409091 0.942857
156 BGC BGC BGC XYS BGC BGC 0.409091 0.942857
157 U63 0.408451 0.891892
158 XYT 0.407895 0.767442
159 FUC GLA GLA 0.402597 0.970588
160 GLA GAL FUC 0.402597 0.970588
161 GAL GAL FUC 0.402597 0.970588
162 GLA GLA FUC 0.402597 0.970588
163 FUC GAL GLA 0.402597 0.970588
164 GAL NAG GAL GLC 0.402299 0.733333
165 BGC GAL NAG GAL 0.402299 0.733333
166 NAG MAN BMA NDG MAN NAG GAL 0.4 0.673469
167 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 with APoc: 169
This union binding pocket(no: 1) in the query (biounit: 2i74.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1KJ1 MAN None
2 3I8T LBT None
3 2YMZ LAT None
4 1QKQ MAN None
5 5EZU MYR None
6 4ZSI 4R1 None
7 5KO1 6UY 1.0582
8 1A8U BEZ 1.5873
9 2IUW AKG 1.5873
10 5VC5 96M 1.5873
11 3BXO UPP 1.5873
12 4KYK IMN 1.63043
13 1QIN GIP 1.63934
14 3NWQ 2NC 2.0202
15 3MWS 017 2.0202
16 6C8X BVR 2.0202
17 2P3B 3TL 2.0202
18 2O4N TPV 2.0202
19 4NJS G08 2.0202
20 4M0R 644 2.1164
21 3U2U UDP 2.1164
22 3OJI PYV 2.1164
23 3KA2 2NC 2.6455
24 3FSM 2NC 2.6455
25 1ST0 GTG 2.6455
26 6GVZ CHO 2.6455
27 2ZMF CMP 2.6455
28 4YGF AZM 2.6455
29 4Y9J FAD 2.6455
30 5KD6 6C7 2.6455
31 5FBN 5WF 2.6455
32 5E9G GLV 2.6455
33 2P1M IHP 2.6936
34 4IE6 UN9 3.1746
35 6BQC LOP 3.1746
36 5DLY 5D7 3.1746
37 5DLY SAH 3.1746
38 4WUJ FMN 3.1746
39 1SDW IYT 3.1746
40 4YZC STU 3.1746
41 2OAZ I96 3.1746
42 4UTU LRY 3.1746
43 3ZJX BOG 3.1746
44 2YG2 S1P 3.48837
45 2YG2 FLC 3.48837
46 3VKC FPQ 3.4965
47 5FPX GLY SER SER HIS HIS HIS HIS HIS 3.53982
48 3NV3 GAL NAG MAN 3.62319
49 1C1L GAL BGC 3.64964
50 3WUD GLC GAL 3.67647
51 3W54 RNB 3.7037
52 2OYL IDC 3.7037
53 4WB6 ATP 3.7037
54 1GP6 DH2 3.7037
55 1GP6 SIN 3.7037
56 1GP6 QUE 3.7037
57 6FOF LAT 3.7037
58 3EBL GA4 3.7037
59 2VDY HCY 3.7037
60 3P0F BAU 3.7037
61 5HA0 LTD 3.84615
62 4YLZ LAT NAG GAL 3.92157
63 3FW4 CAQ 3.93258
64 3S43 478 4.0404
65 4WVW SLT 4.16667
66 4O9S 2RY 4.2328
67 1ZM1 BGC BGC BGC 4.2328
68 4MP8 MLI 4.2328
69 4MP8 NAD 4.2328
70 3WUC GLC GAL 4.2328
71 1U0A BGC BGC BGC BGC 4.2328
72 4RF7 ARG 4.2328
73 2OFV 242 4.2328
74 5H2D ERG 4.2328
75 4KCF AKM 4.40529
76 2X52 GYT 4.67836
77 3WV6 GAL GLC 4.7619
78 3WV6 GAL BGC 4.7619
79 5YU3 PRO 4.7619
80 5YU3 NAD 4.7619
81 5AZC PGT 4.7619
82 1LN1 DLP 4.7619
83 2H04 4UN 4.7619
84 3VRY B43 4.7619
85 4XDA RIB 4.7619
86 4XDA ADP 4.7619
87 6G5J EM8 4.84848
88 5T96 79J 4.97076
89 5UR6 8KM 4.97238
90 5H9Q TD2 5.16129
91 3OYW TDG 5.22388
92 1GZW GAL BGC 5.22388
93 1W6P NDG GAL 5.22388
94 1YKD CMP 5.29101
95 3DLG GWE 5.29101
96 1QNF FAD 5.29101
97 4WW8 VD9 5.29101
98 3T1A 5MA 5.29101
99 1OLM VTQ 5.29101
100 3VV1 GAL FUC 5.625
101 5NFB 8VT 5.68182
102 1DZK PRZ 5.73248
103 5NLD LBT 5.7554
104 2WA4 069 5.82011
105 3W68 VIV 5.82011
106 1SLT NDG GAL 5.97015
107 5GLT BGC GAL NAG GAL 5.98592
108 3ZXE PGZ 6.01504
109 2ZHL NAG GAL GAL NAG 6.08108
110 5H9P TD2 6.32911
111 2I7N ACO 6.34921
112 1A78 TDG 6.71642
113 2AMV BIN 6.87831
114 2YKL NLD 6.87831
115 3RYC GTP 6.99301
116 3RYC GDP 6.99301
117 3GWN FAD 7.01754
118 3GGU 017 7.07071
119 4R38 RBF 7.14286
120 5FM0 WAQ 7.40741
121 5DG2 GAL GLC 7.40741
122 4QDC ASD 7.40741
123 5ZM4 9FU 7.40741
124 5HES 032 7.40741
125 2ZRU FMN 7.40741
126 4BVA T3 7.40741
127 4RYV ZEA 7.74194
128 4Q5M ROC 7.93651
129 1CHM CMS 7.98005
130 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 8
131 3M3E GAL A2G NPO 8.07453
132 1IDA 0PO 8.08081
133 1SIV PSI 8.08081
134 1TMO 2MD 8.46561
135 5MY8 RXZ 8.46561
136 1T36 U 8.46561
137 2WT2 GAL NAG GAL NAG GAL NAG 8.46561
138 6D6L FY4 8.82353
139 4CQE CQE 8.99471
140 4OYA 1VE 9.52381
141 5TV6 PML 9.52381
142 6GW1 CHO 10.0529
143 1WW5 SGA BGC 10.0529
144 2D6M LBT 10.0629
145 3LN0 52B 10.582
146 4L9Z COA 12.1693
147 3KFF XBT 12.3457
148 3KFF ZBT 12.3457
149 4WVO 3UZ 13.2275
150 4O12 2QG 13.7566
151 4TMC HBA 13.7566
152 5T7I LAT NAG GAL 14.1935
153 3A23 GAL 14.2857
154 2DYR TGL 14.2857
155 2DYS TGL 14.2857
156 5ZCO TGL 14.2857
157 5Z84 TGL 14.2857
158 5DJU FMN 14.7541
159 1ZDT PEF 14.9378
160 5O9W AKG 15.3439
161 4URL XAM 15.873
162 1JQI FAD 16.4021
163 5EFW FMN 16.6667
164 4K49 HFQ 17.6471
165 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 18.5185
166 1DNP FAD 20.1058
167 1EWF PC1 21.164
168 4OIT MAN 24.7788
169 4JD3 PLM 35.4497
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