Receptor
PDB id Resolution Class Description Source Keywords
3l8h 1.68 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF D,D-HEPTOSE 1.7-BISPHOSPHATE PHOSPHATAS BRONCHISEPTICA COMPLEXED WITH MAGNESIUM AND PHOSPHATE BORDETELLA BRONCHISEPTICA HAD SUPERFAMILY GMHB D-GLYCERO-D-MANNO-HEPTOSE-1 7-BISPHOPHOSPHATASE HYDROLASE
Ref.: STRUCTURAL DETERMINANTS OF SUBSTRATE RECOGNITION IN SUPERFAMILY MEMBER D-GLYCERO-D-MANNO-HEPTOSE-1,7-BISPHOSPHATE PHOSPHAT (GMHB) . BIOCHEMISTRY V. 49 1082 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMT A:2007;
D:2009;
 Invalid;
Invalid;
 none;
none;
 submit data
46.025 C H2 O2 C(=O)...
FX1 C:2006;
 Valid;
 none;
 submit data
178.14 C6 H10 O6 C([C@...
MG A:180;
A:801;
B:802;
C:803;
D:804;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
PO4 A:2001;
B:2002;
B:2005;
C:2003;
D:2004;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
94.971 O4 P [O-]P...
SAR D:2008;
 Invalid;
 none;
 submit data
89.093 C3 H7 N O2 CNCC(...
ZN A:901;
B:902;
C:903;
D:904;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L8H 1.68 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF D,D-HEPTOSE 1.7-BISPHOSPHATE PHOSPHATAS BRONCHISEPTICA COMPLEXED WITH MAGNESIUM AND PHOSPHATE BORDETELLA BRONCHISEPTICA HAD SUPERFAMILY GMHB D-GLYCERO-D-MANNO-HEPTOSE-1 7-BISPHOPHOSPHATASE HYDROLASE
Ref.: STRUCTURAL DETERMINANTS OF SUBSTRATE RECOGNITION IN SUPERFAMILY MEMBER D-GLYCERO-D-MANNO-HEPTOSE-1,7-BISPHOSPHATE PHOSPHAT (GMHB) . BIOCHEMISTRY V. 49 1082 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 3L8H - FX1 C6 H10 O6 C([C@@H]1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 3L8H - FX1 C6 H10 O6 C([C@@H]1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 3L8H - FX1 C6 H10 O6 C([C@@H]1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FX1; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FX1 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: FX1; Similar ligands found: 254
No: Ligand Similarity coefficient
1 FRU 0.9903
2 SOE 0.9621
3 AFR 0.9452
4 MAN 0.9373
5 RIB 0.9356
6 BMA 0.9336
7 2XX 0.9330
8 V55 0.9328
9 NOJ 0.9300
10 DIG 0.9299
11 MMA 0.9286
12 GLC 0.9281
13 3Z7 0.9263
14 3XX 0.9256
15 3DM 0.9248
16 AMG 0.9242
17 AHR 0.9240
18 G2F 0.9239
19 MNM 0.9222
20 BGC 0.9219
21 2TQ 0.9208
22 GLA 0.9199
23 I3A 0.9193
24 EUG 0.9192
25 BDF 0.9179
26 BDP 0.9173
27 NOY 0.9165
28 SF9 0.9165
29 LXC 0.9160
30 LCN 0.9156
31 IFL 0.9155
32 XYP 0.9151
33 32O 0.9141
34 GYP 0.9133
35 GTQ 0.9113
36 MFU 0.9110
37 ASO 0.9109
38 FUL 0.9104
39 CGB 0.9096
40 5RG 0.9096
41 0MK 0.9096
42 ARB 0.9086
43 XYS 0.9082
44 TLA 0.9081
45 12M 0.9081
46 54G 0.9079
47 RM1 0.9077
48 AUD 0.9074
49 NGO 0.9074
50 7VJ 0.9071
51 CIT 0.9066
52 FUC 0.9063
53 X09 0.9061
54 4PW 0.9053
55 9TZ 0.9053
56 1XX 0.9051
57 5MK 0.9050
58 ARA 0.9049
59 LKA 0.9044
60 FYU 0.9044
61 G3F 0.9043
62 5M0 0.9041
63 FA1 0.9037
64 9DG 0.9034
65 GXL 0.9034
66 SDD 0.9031
67 3DY 0.9030
68 IFM 0.9023
69 9PY 0.9023
70 GLO 0.9019
71 GLU 0.9018
72 G4D 0.9017
73 GCU 0.9014
74 SYG 0.9012
75 GLF 0.9007
76 PA1 0.9004
77 QIC 0.9001
78 DGJ 0.8999
79 4M4 0.8999
80 4NG 0.8997
81 GOO 0.8997
82 GIF 0.8996
83 GAL 0.8995
84 DIE 0.8994
85 5DI 0.8993
86 FLC 0.8992
87 DMJ 0.8991
88 RUU 0.8990
89 GCS 0.8985
90 XX3 0.8973
91 PXM 0.8973
92 6CS 0.8965
93 RIP 0.8964
94 NGT 0.8962
95 SR1 0.8960
96 ARW 0.8959
97 LGC 0.8954
98 IF7 0.8953
99 TMH 0.8948
100 3CU 0.8946
101 QDK 0.8944
102 AGK 0.8941
103 URQ 0.8938
104 5FN 0.8938
105 XUL 0.8936
106 YTB 0.8933
107 ZXD 0.8932
108 TNE 0.8927
109 KOJ 0.8918
110 SAL 0.8918
111 149 0.8917
112 SF6 0.8917
113 948 0.8917
114 XLS 0.8915
115 7D2 0.8915
116 3M0 0.8914
117 95Z 0.8913
118 4XR 0.8910
119 6LW 0.8910
120 ASC 0.8910
121 CTS 0.8908
122 6M4 0.8908
123 GIV 0.8900
124 FUF 0.8890
125 SVD 0.8887
126 DBH 0.8886
127 GCB 0.8880
128 8S0 0.8879
129 YIO 0.8878
130 DFU 0.8876
131 FUD 0.8875
132 MFB 0.8875
133 3V4 0.8872
134 PSV 0.8872
135 TAR 0.8872
136 OXZ 0.8871
137 RNS 0.8870
138 2H5 0.8867
139 PAF 0.8864
140 OAA 0.8863
141 ISD 0.8861
142 KBG 0.8859
143 ENL 0.8859
144 2FG 0.8859
145 SVJ 0.8858
146 3HA 0.8855
147 GAF 0.8850
148 2M5 0.8849
149 FA3 0.8847
150 ZWZ 0.8844
151 94B 0.8842
152 BE2 0.8842
153 XXR 0.8841
154 SOL 0.8839
155 ICT 0.8836
156 H62 0.8836
157 F81 0.8835
158 3U4 0.8834
159 MA3 0.8834
160 DFB 0.8832
161 AZF 0.8832
162 KIB 0.8828
163 4HM 0.8826
164 3BU 0.8826
165 O7U 0.8826
166 WOO 0.8825
167 HJP 0.8814
168 N7P 0.8813
169 R8A 0.8813
170 DZX 0.8812
171 X6X 0.8811
172 1GN 0.8809
173 GOX 0.8806
174 3C7 0.8806
175 UEG 0.8805
176 286 0.8802
177 293 0.8801
178 261 0.8801
179 1LN 0.8797
180 ES6 0.8796
181 4CS 0.8794
182 40F 0.8793
183 EVA 0.8793
184 G5V 0.8791
185 H7Y 0.8787
186 R1P 0.8786
187 DMV 0.8785
188 NSG 0.8783
189 8EZ 0.8783
190 KDF 0.8782
191 Z6J 0.8782
192 SHA 0.8781
193 HIO 0.8777
194 ASP 0.8774
195 NGW 0.8774
196 B0D 0.8772
197 LYL 0.8771
198 CIZ 0.8770
199 DQA 0.8768
200 34V 0.8766
201 LRH 0.8764
202 64K 0.8762
203 RNT 0.8758
204 1DW 0.8756
205 OAF 0.8754
206 24B 0.8747
207 EPR 0.8743
208 4TE 0.8742
209 SNE 0.8741
210 GLG 0.8740
211 P4B 0.8739
212 PBE 0.8732
213 3RK 0.8731
214 ITN 0.8724
215 ALL 0.8722
216 C2A 0.8719
217 IPM 0.8716
218 GNL 0.8713
219 CRN 0.8711
220 KIA 0.8711
221 AZA 0.8711
222 NK 0.8710
223 MR1 0.8701
224 1AB 0.8694
225 EOL 0.8694
226 FP1 0.8694
227 289 0.8680
228 42A 0.8680
229 FDK 0.8678
230 ROR 0.8674
231 3SK 0.8671
232 2EC 0.8665
233 XYL 0.8651
234 GTR 0.8645
235 CAX 0.8645
236 RB5 0.8640
237 FE DB1 0.8634
238 XQG 0.8630
239 2LP 0.8626
240 ADA 0.8625
241 BDR 0.8624
242 IP0 0.8617
243 R2B 0.8615
244 K6H 0.8600
245 T9G 0.8600
246 R1X 0.8599
247 LDP 0.8595
248 FH2 0.8580
249 4SV 0.8578
250 285 0.8578
251 5XB 0.8559
252 3MG 0.8537
253 47J 0.8534
254 HZP 0.8532
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L8H; Ligand: FX1; 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: 3l8h.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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