Receptor
PDB id Resolution Class Description Source Keywords
1LQ8 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CLEAVED PROTEIN C INHIBITOR HOMO SAPIENS SERPIN PROTEASE INHIBITOR HEPARIN RETINOIC ACID PROTEINCLOTTING
Ref.: CRYSTAL STRUCTURE OF PROTEIN C INHIBITOR PROVIDES I INTO HORMONE BINDING AND HEPARIN ACTIVATION STRUCTURE V. 11 205 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IPA A:901;
C:902;
G:903;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
60.095 C3 H8 O CC(C)...
MAN MAN MAN L:1;
Valid;
none;
submit data
504.438 n/a O(C1O...
NAG NAG J:1;
K:1;
Part of Protein;
Part of Protein;
none;
none;
submit data
408.404 n/a O=C(N...
NAG C:10;
C:357;
G:359;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NDG M:1;
I:1;
Part of Protein;
Part of Protein;
none;
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
3DY0 1.55 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CLEAVED PCI BOUND TO HEPARIN HOMO SAPIENS SERPIN BLOOD CLOTTING HYDROLASE INHIBITOR
Ref.: THE HEPARIN BINDING SITE OF PROTEIN C INHIBITOR IS PROTEASE-DEPENDENT. J.BIOL.CHEM. V. 283 36039 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 3DY0 - IDS SGN IDS SGN IDS n/a n/a
2 1LQ8 - MAN MAN MAN n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 3DY0 - IDS SGN IDS SGN IDS n/a n/a
2 1LQ8 - MAN 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 1130 families.
1 3DY0 - IDS SGN IDS SGN IDS n/a n/a
2 1LQ8 - MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MAN MAN; Similar ligands found: 235
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN MAN 1 1
2 MAN BMA MAN 1 1
3 M5S 0.894737 1
4 MAN BMA MAN MAN MAN 0.894737 1
5 MAN MAN MAN MAN 0.754098 1
6 MAN MAN BMA MAN 0.754098 1
7 MAN MAN MAN MAN MAN MAN MAN 0.7 1
8 GLC GLC 0.685185 1
9 GLC BGC 0.685185 1
10 MAN GLC 0.685185 1
11 M3M 0.685185 1
12 GLA GAL 0.685185 1
13 NGR 0.685185 1
14 LB2 0.685185 1
15 GLA GLA 0.685185 1
16 BMA MAN MAN MAN MAN 0.681818 1
17 MAN MMA MAN 0.677419 0.942857
18 GAL GLC 0.672727 1
19 LAK 0.672727 1
20 MLB 0.672727 1
21 GAL GAL 0.672727 1
22 MAN BMA 0.672727 1
23 MAN MAN 0.672727 1
24 GLA GLC 0.672727 1
25 BGC GLA 0.672727 1
26 BMA GLA 0.672727 1
27 GLA BGC 0.672727 1
28 GLA BMA 0.672727 1
29 GAL GAL SO4 0.650794 0.66
30 GLC GLC GLC GLC BGC 0.649123 1
31 BMA MAN MAN 0.649123 1
32 GLC GLC GLC GLC GLC BGC 0.649123 1
33 GLC GLC GLC GLC 0.627119 1
34 GLC BGC BGC BGC BGC BGC BGC 0.627119 1
35 GLC GLC BGC 0.627119 1
36 GLC GLC GLC 0.627119 1
37 BGC BGC BGC BGC BGC BGC 0.627119 1
38 BGC BGC BGC GLC BGC BGC 0.627119 1
39 BMA BMA MAN GLA GLA 0.615385 1
40 GLC GLC GLC BGC 0.61194 1
41 MAN MAN MAN BMA MAN 0.605634 1
42 WZ3 0.585714 0.916667
43 BMA BMA GLA BMA BMA 0.57971 1
44 BMA BMA BMA GLA BMA 0.57971 1
45 BMA MAN MAN MAN 0.553846 1
46 AHR AHR 0.553571 0.857143
47 FUB AHR 0.553571 0.857143
48 FUB AHR AHR 0.551724 0.857143
49 AHR AHR AHR AHR AHR AHR 0.551724 0.857143
50 P3M 0.536232 0.767442
51 MAN MAN MAN MAN MAN MAN MAN MAN 0.52381 0.846154
52 CGC 0.523077 0.941176
53 BQZ 0.517857 0.909091
54 MAN MAN MAN BMA MAN MAN MAN 0.512195 0.942857
55 NAG NAG BMA MAN MAN 0.505747 0.6875
56 BMA NGT MAN MAN 0.5 0.66
57 NAG MAN BMA MAN NAG GAL 0.494505 0.6875
58 GLA GAL GAL 0.492537 1
59 LBT 0.491803 1
60 BMA GAL 0.491803 1
61 BGC GAL 0.491803 1
62 BMA BMA 0.491803 1
63 MAB 0.491803 1
64 CBI 0.491803 1
65 MAL 0.491803 1
66 N9S 0.491803 1
67 B2G 0.491803 1
68 BGC BMA 0.491803 1
69 GAL BGC 0.491803 1
70 LAT 0.491803 1
71 GLC GAL 0.491803 1
72 CBK 0.491803 1
73 1GN ACY GAL ACY 1GN BGC GAL BGC 0.488372 0.6875
74 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.488372 0.6875
75 BGC BGC BGC BGC BGC BGC BGC BGC 0.485714 1
76 BGC BGC BGC BGC 0.484375 1
77 BGC BGC BGC 0.484375 1
78 BGC GLC GLC GLC GLC 0.484375 1
79 BGC BGC BGC GLC 0.484375 1
80 GLC BGC GLC 0.484375 1
81 GLA GAL BGC 0.484375 1
82 CE8 0.484375 1
83 MLR 0.484375 1
84 BMA BMA BMA BMA BMA 0.484375 1
85 BMA BMA BMA BMA BMA BMA 0.484375 1
86 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.484375 1
87 CE5 0.484375 1
88 MAN BMA BMA BMA BMA 0.484375 1
89 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.484375 1
90 MAN BMA BMA 0.484375 1
91 CTT 0.484375 1
92 MAN MAN BMA BMA BMA BMA 0.484375 1
93 GLC GAL GAL 0.484375 1
94 BGC GLC GLC 0.484375 1
95 DXI 0.484375 1
96 B4G 0.484375 1
97 MAN BMA BMA BMA BMA BMA 0.484375 1
98 GLC GLC GLC GLC GLC 0.484375 1
99 MTT 0.484375 1
100 GLC BGC BGC BGC 0.484375 1
101 CT3 0.484375 1
102 GLC BGC BGC BGC BGC 0.484375 1
103 CTR 0.484375 1
104 CEX 0.484375 1
105 GLA GAL GLC 0.484375 1
106 CEY 0.484375 1
107 GLC BGC BGC BGC BGC BGC 0.484375 1
108 CE6 0.484375 1
109 BGC GLC GLC GLC 0.484375 1
110 GAL GAL GAL 0.484375 1
111 BGC BGC GLC 0.484375 1
112 BGC GLC GLC GLC GLC GLC GLC 0.484375 1
113 BMA MAN BMA 0.484375 1
114 BMA BMA BMA 0.484375 1
115 MT7 0.484375 1
116 GLC BGC BGC 0.484375 1
117 NAG BMA MAN MAN MAN MAN MAN MAN 0.483516 0.733333
118 GLA EGA 0.476923 0.942857
119 MAN MMA 0.47619 0.942857
120 M13 0.47619 0.942857
121 MDM 0.47619 0.942857
122 GAL MBG 0.47619 0.942857
123 2M4 0.47541 1
124 BMA MAN 0.47541 1
125 BGC GLC 0.47541 1
126 NAG BMA MAN MAN MAN MAN MAN 0.472527 0.733333
127 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.472527 0.733333
128 NAG BMA MAN MAN MAN MAN 0.471264 0.733333
129 GAL BGC NAG GAL 0.468354 0.733333
130 NAG MAN MAN MAN NAG 0.464286 0.6875
131 TRE 0.462963 1
132 NAG A2G GAL 0.4625 0.6875
133 LAT GLA 0.451613 1
134 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.451219 0.942857
135 BGC BGC BGC XYS BGC BGC 0.451219 0.942857
136 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.451219 0.942857
137 GAL BGC BGC XYS 0.448718 0.942857
138 MAL EDO 0.447761 0.942857
139 BGC BGC 0.446154 0.914286
140 M5G 0.444444 0.6875
141 FUC BGC GAL 0.444444 0.970588
142 FUC GLC BGC GAL 0.444444 0.970588
143 GLC Z9N 0.441176 0.842105
144 U63 0.439394 0.891892
145 GAL FUC 0.439394 0.941176
146 NAG GAL GAL NAG GAL 0.439024 0.6875
147 MAN MAN MAN GLC 0.438356 1
148 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.438202 0.825
149 BGC BGC XYS BGC 0.4375 0.942857
150 BGC BGC BGC XYS GAL 0.433735 0.942857
151 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.431034 0.611111
152 DR5 0.430769 0.942857
153 MMA MAN 0.430769 0.942857
154 T6P 0.430769 0.767442
155 GAL GAL FUC 0.430556 0.970588
156 FUC GLA GLA 0.430556 0.970588
157 GLA GAL FUC 0.430556 0.970588
158 FUC GAL GLA 0.430556 0.970588
159 GLA GLA FUC 0.430556 0.970588
160 GLA MBG 0.428571 0.942857
161 GLA GLC FRU 0.426667 0.891892
162 RAF 0.426667 0.891892
163 MAN MAN BMA 0.426471 1
164 BMA BMA MAN 0.426471 1
165 BGC BGC XYS XYS GAL 0.425287 0.942857
166 DOM 0.424242 0.942857
167 GAL BGC NAG NAG GAL GAL 0.423913 0.6875
168 GLA NAG GAL FUC 0.423529 0.717391
169 GLA GAL BGC 5VQ 0.422535 0.891892
170 GAL NGA 0.422535 0.733333
171 NAG GAL 0.422535 0.733333
172 GAL A2G 0.422535 0.733333
173 GAL NAG 0.422535 0.733333
174 BGC BGC XYS BGC XYS XYS GAL 0.422222 0.942857
175 BGC BGC BGC XYS BGC XYS XYS 0.421687 0.942857
176 XYS BGC BGC XYS BGC XYS BGC 0.421687 0.942857
177 XYS BGC BGC XYS BGC BGC XYS 0.421687 0.942857
178 GLC BGC BGC XYS BGC XYS XYS 0.421687 0.942857
179 BGC BGC XYS BGC XYS BGC XYS 0.421687 0.942857
180 STW 0.421053 0.891892
181 SUC GLA GLA 0.421053 0.891892
182 SUC GLA GLA GLA 0.421053 0.891892
183 BGC BGC BGC BGC BGC 0.42029 1
184 DMJ MAN 0.42029 0.695652
185 BGC BGC BGC BGC BGC BGC BGC 0.42029 1
186 NOJ BGC 0.42029 0.695652
187 MAN MNM 0.42029 0.702128
188 RGG 0.419355 0.882353
189 4CQ 0.416667 0.970588
190 XYT 0.416667 0.767442
191 BGC BGC BGC XYS BGC XYS GAL 0.41573 0.942857
192 GAL BGC BGC BGC XYS BGC XYS 0.41573 0.942857
193 LSE 0.415584 0.6875
194 WZ2 0.415584 0.868421
195 IFM MAN 0.414286 0.711111
196 NAG NAG BMA MAN MAN MAN MAN 0.413462 0.634615
197 WZ5 0.413043 0.702128
198 GLC BGC BGC XYS BGC XYS XYS GAL 0.413043 0.942857
199 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.413043 0.942857
200 GAL BGC BGC BGC XYS XYS 0.413043 0.942857
201 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.413043 0.942857
202 XYS BGC GAL BGC BGC BGC XYS GAL XYS 0.413043 0.942857
203 XYS GAL GLC BGC BGC XYS BGC XYS 0.413043 0.942857
204 GAL XYS XYS BGC BGC XYS BGC BGC 0.413043 0.942857
205 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.413043 0.942857
206 GAL XYS BGC BGC XYS XYS BGC GAL BGC 0.413043 0.942857
207 KDO MAN MAN MAN MAN MAN 0.411765 0.868421
208 5QP 0.411765 0.885714
209 GLA MAN ABE 0.410256 0.916667
210 GLA GAL NAG 0.410256 0.733333
211 MAN BMA NAG 0.410256 0.733333
212 RZM 0.409091 0.688889
213 GDQ GLC 0.408451 0.666667
214 BGC OXZ 0.405797 0.666667
215 BMA IFM 0.405797 0.711111
216 IFM BMA 0.405797 0.711111
217 9MR 0.405797 0.744186
218 IFM BGC 0.405797 0.711111
219 GLA GAL GLC NBU 0.405405 0.846154
220 G2F BGC BGC BGC BGC BGC 0.405405 0.868421
221 A2G GAL 0.405405 0.653061
222 NGB 0.405063 0.622642
223 XYS BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC 0.404255 0.942857
224 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.40404 0.673469
225 GAL NDG 0.402778 0.733333
226 NLC 0.402778 0.733333
227 6SA 0.401961 0.733333
228 BGC BGC XYS BGC XYS GAL 0.4 0.916667
229 EBQ 0.4 0.789474
230 NOY BGC 0.4 0.702128
231 EBG 0.4 0.837838
232 FMO 0.4 0.868421
233 NOJ GLC 0.4 0.695652
234 GLC DMJ 0.4 0.695652
235 OPM MAN MAN 0.4 0.804878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DY0; Ligand: IDS SGN IDS SGN IDS IDS; 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: 3dy0.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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