Receptor
PDB id Resolution Class Description Source Keywords
1LC7 1.8 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF L-THREONINE-O-3-PHOSPHATE DECARBOXYLASE ENTERICA COMPLEXED WITH A SUBSTRATE SALMONELLA ENTERICA COBD L-THREONINE-O-3-PHOSPHATE PLP-DEPENDENT DECARBOXYLASECOBALAMIN LYASE
Ref.: STRUCTURAL STUDIES OF THE L-THREONINE-O-3-PHOSPHATE DECARBOXYLASE (COBD) ENZYME FROM SALMONELLA ENTERIC APO, SUBSTRATE, AND PRODUCT-ALDIMINE COMPLEXES. BIOCHEMISTRY V. 41 9079 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:800;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
TPO A:990;
 Valid;
 none;
 submit data
199.099 C4 H10 N O6 P C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LC8 1.8 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF L-THREONINE-O-3-PHOSPHATE DECARBOXYLASE ENTERICA COMPLEXED WITH ITS REACTION INTERMEDIATE SALMONELLA ENTERICA COBD L-THREONINE-O-3-PHOSPHATE PLP-DEPENDENT DECARBOXYLASECOBALAMIN LYASE
Ref.: STRUCTURAL STUDIES OF THE L-THREONINE-O-3-PHOSPHATE DECARBOXYLASE (COBD) ENZYME FROM SALMONELLA ENTERIC APO, SUBSTRATE, AND PRODUCT-ALDIMINE COMPLEXES. BIOCHEMISTRY V. 41 9079 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1LC7 - TPO C4 H10 N O6 P C[C@H]([C@....
2 1LC8 - 33P C11 H20 N2 O9 P2 Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 59 families.
1 1LC7 - TPO C4 H10 N O6 P C[C@H]([C@....
2 1LC8 - 33P C11 H20 N2 O9 P2 Cc1c(c(c(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 47 families.
1 1LC7 - TPO C4 H10 N O6 P C[C@H]([C@....
2 1LC8 - 33P C11 H20 N2 O9 P2 Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TPO; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 TPO 1 1
2 PEQ 0.5 0.727273
3 0V5 0.5 0.727273
4 PEZ 0.457143 0.631579
Similar Ligands (3D)
Ligand no: 1; Ligand: TPO; Similar ligands found: 243
No: Ligand Similarity coefficient
1 152 0.9648
2 SEP 0.9555
3 HBU 0.9502
4 OSE 0.9371
5 3PG 0.9366
6 AKG 0.9255
7 13P 0.9239
8 HIS 0.9209
9 GLU 0.9194
10 GP9 0.9191
11 GLN 0.9189
12 1X4 0.9183
13 PC 0.9180
14 9ON 0.9179
15 PEP 0.9173
16 PGH 0.9166
17 2HG 0.9146
18 XXG 0.9143
19 HPV 0.9117
20 PPR 0.9114
21 FOC 0.9097
22 QMP 0.9096
23 KMH 0.9095
24 HCI 0.9081
25 FK8 0.9077
26 DGL 0.9069
27 A3M 0.9067
28 LTL 0.9063
29 41K 0.9063
30 4LR 0.9061
31 9YT 0.9060
32 RAT 0.9051
33 449 0.9049
34 CXP 0.9043
35 TIU 0.9043
36 PSE 0.9042
37 ZGL 0.9041
38 DZA 0.9039
39 E4P 0.9027
40 HG3 0.9027
41 MTL 0.9018
42 2PG 0.9016
43 CYX 0.9009
44 CS2 0.9006
45 DXG 0.9001
46 PMF 0.8999
47 C5A 0.8995
48 G3H 0.8994
49 PHE 0.8992
50 SYC 0.8990
51 IP8 0.8987
52 3HG 0.8982
53 ONL 0.8970
54 MUC 0.8969
55 ICB 0.8957
56 DER 0.8951
57 XSP 0.8948
58 UN1 0.8947
59 LUQ 0.8946
60 0CG 0.8945
61 4NG 0.8942
62 6JN 0.8939
63 HSX 0.8934
64 REL 0.8933
65 AOS 0.8932
66 G3P 0.8932
67 GVM 0.8929
68 3PO 0.8929
69 AT3 0.8928
70 1SA 0.8924
71 40F 0.8921
72 ACH 0.8920
73 RUJ 0.8919
74 8EW 0.8917
75 GZ3 0.8908
76 1GP 0.8905
77 3BU 0.8904
78 SPV 0.8893
79 3S5 0.8891
80 MAH 0.8889
81 TIH 0.8888
82 HMS 0.8887
83 RNT 0.8887
84 TAR 0.8886
85 EHM 0.8885
86 SOR 0.8884
87 DHI 0.8883
88 HGA 0.8879
89 Q03 0.8879
90 AHN 0.8875
91 5XB 0.8874
92 LNO 0.8871
93 KVP 0.8869
94 K6V 0.8864
95 HHI 0.8862
96 GGL 0.8862
97 CCD 0.8861
98 OMD 0.8860
99 GBN 0.8850
100 SYM 0.8845
101 XUL 0.8843
102 PPY 0.8841
103 HFA 0.8840
104 GUA 0.8839
105 LYS 0.8838
106 R9M 0.8836
107 LFC 0.8830
108 KPC 0.8829
109 173 0.8829
110 FIX 0.8825
111 F98 0.8825
112 SKJ 0.8823
113 GLO 0.8820
114 MES 0.8817
115 7UC 0.8816
116 S2G 0.8812
117 FUD 0.8810
118 NFA 0.8809
119 DHS 0.8807
120 TLA 0.8806
121 B3U 0.8806
122 XYH 0.8806
123 ROR 0.8805
124 FLC 0.8803
125 CIT 0.8803
126 AMH 0.8803
127 DLY 0.8800
128 MZT 0.8799
129 ALA ALA 0.8797
130 FBW 0.8796
131 APG 0.8796
132 ICF 0.8795
133 DII 0.8794
134 8OZ 0.8793
135 SMN 0.8792
136 2IT 0.8791
137 Q9Z 0.8791
138 DIR 0.8791
139 RNS 0.8790
140 MEV 0.8789
141 ICT 0.8788
142 CHH 0.8786
143 DYT 0.8782
144 R9S 0.8782
145 XLS 0.8780
146 XCZ 0.8778
147 TAG 0.8777
148 KPA 0.8774
149 9J3 0.8774
150 MLT 0.8771
151 TRC 0.8768
152 8GL 0.8766
153 DAL DAL 0.8765
154 FOM 0.8764
155 51R 0.8758
156 DBX 0.8758
157 SOL 0.8758
158 SRT 0.8755
159 AL0 0.8755
160 ORN 0.8753
161 I38 0.8753
162 3LR 0.8747
163 PLU 0.8745
164 0VT 0.8742
165 HSO 0.8741
166 0OC 0.8738
167 IXW 0.8737
168 PSJ 0.8736
169 MET 0.8735
170 LPK 0.8732
171 7C3 0.8729
172 2FT 0.8727
173 3YP 0.8721
174 3SL 0.8720
175 KBB 0.8719
176 PO6 0.8717
177 2D8 0.8714
178 NM3 0.8713
179 LEU 0.8709
180 GLR 0.8706
181 CCB 0.8706
182 DGN 0.8705
183 HDL 0.8702
184 11C 0.8702
185 XYL 0.8701
186 7A8 0.8691
187 0JD 0.8690
188 JZA 0.8689
189 Q02 0.8688
190 CMS 0.8688
191 M74 0.8686
192 QDK 0.8685
193 HIO 0.8683
194 GCO 0.8682
195 MEQ 0.8681
196 RP5 0.8680
197 23J 0.8674
198 ASN 0.8674
199 GPF 0.8671
200 GPJ 0.8671
201 OHP 0.8668
202 6FZ 0.8667
203 PPK 0.8665
204 FBV 0.8664
205 SAF 0.8663
206 ASP 0.8662
207 2BX 0.8661
208 SD4 0.8658
209 XX3 0.8657
210 JYD 0.8655
211 IPM 0.8654
212 RBL 0.8652
213 LMR 0.8649
214 G2H 0.8648
215 5LD 0.8643
216 HQ9 0.8631
217 EDR 0.8624
218 S7A 0.8624
219 8TW 0.8624
220 1SH 0.8623
221 FB1 0.8619
222 PBA 0.8617
223 KDG 0.8614
224 KTA 0.8614
225 SDD 0.8612
226 3MF 0.8606
227 M44 0.8602
228 XIZ 0.8601
229 PRZ 0.8596
230 2TQ 0.8596
231 MD0 0.8587
232 ILE 0.8582
233 CCE 0.8579
234 URP 0.8579
235 S2P 0.8578
236 8SZ 0.8569
237 SVD 0.8564
238 HYA 0.8548
239 FSG 0.8548
240 LLH 0.8542
241 3OC 0.8539
242 DHM 0.8536
243 LY0 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LC8; Ligand: 33P; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1lc8.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1UU1 PMP HSA 31.0448
Pocket No.: 2; Query (leader) PDB : 1LC8; Ligand: 33P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1lc8.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback