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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
33P A:800;
Valid;
none;
submit data
386.232 C11 H20 N2 O9 P2 Cc1c(...
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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 46 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 44 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 35 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
Ligand no: 1; Ligand: 33P; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 33P 1 1
2 PLG 0.641791 0.901639
3 EA5 0.626667 0.833333
4 TLP 0.619718 0.885246
5 2BK 0.619718 0.885246
6 2BO 0.619718 0.885246
7 IN5 0.617647 0.915254
8 PDA 0.614286 0.885246
9 PDD 0.614286 0.885246
10 PP3 0.614286 0.885246
11 ILP 0.586667 0.887097
12 PLS 0.575342 0.84127
13 C6P 0.567568 0.84127
14 PPD 0.567568 0.870968
15 CBA 0.565789 0.815385
16 PY5 0.56 0.846154
17 PL2 0.558442 0.791045
18 5PA 0.554054 0.80303
19 P1T 0.547945 0.80303
20 PXP 0.546875 0.827586
21 PDG 0.545455 0.84375
22 PGU 0.545455 0.84375
23 7XF 0.545455 0.815385
24 IK2 0.540541 0.830769
25 PLA 0.539474 0.875
26 PMP 0.538462 0.896552
27 LPI 0.538462 0.835821
28 QLP 0.538462 0.794118
29 PMH 0.533333 0.702703
30 PY6 0.531646 0.820895
31 GT1 0.530303 0.830508
32 ORX 0.525 0.80303
33 N5F 0.525 0.830769
34 PMG 0.518987 0.848485
35 PE1 0.518519 0.80303
36 HEY 0.5125 0.818182
37 76U 0.5125 0.830769
38 7TS 0.506329 0.688312
39 3LM 0.506173 0.848485
40 PL4 0.506024 0.80303
41 9YM 0.5 0.787879
42 DCS 0.5 0.697368
43 KAM 0.494118 0.859375
44 AQ3 0.488636 0.791045
45 PSZ 0.487805 0.779412
46 PXG 0.470588 0.84127
47 RW2 0.470588 0.779412
48 PL8 0.465116 0.739726
49 7B9 0.454545 0.771429
50 PLR 0.439394 0.758621
51 DOW 0.431373 0.782609
52 P0P 0.428571 0.745763
53 PLP 0.42029 0.745763
54 PLP 2KZ 0.414634 0.809524
55 PZP 0.414286 0.779661
56 LCS 0.411765 0.662338
57 0LD 0.41 0.623529
58 CAN PLP 0.409091 0.779412
59 PPG 0.4 0.80303
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: 143
This union binding pocket(no: 1) in the query (biounit: 1lc8.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2PO3 T4K 1.37363
2 2FYF PLP 1.64835
3 2QRY TPS 1.81818
4 1DJ9 KAM 1.92308
5 3ZRR PXG 1.92308
6 2TPL HPP 1.92308
7 6CD1 PLS 1.92308
8 6ECG PM9 1.92308
9 6CD1 PLG 1.92308
10 3BS8 PMP 1.92308
11 5YKT PMP 2.1978
12 5W70 9YM 2.1978
13 3VP6 HLD 2.1978
14 1JS3 PLP 142 2.1978
15 4WXG 2BO 2.1978
16 3FRK TQP 2.1978
17 5IM3 DTP 2.1978
18 3ZGJ RMN 2.1978
19 5W71 PLP 2.47253
20 5M3Z NLE 2.47253
21 5M3Z PY6 2.47253
22 5M3Z PLP 2.47253
23 3DR4 G4M 2.47253
24 4UHO PLP 2.47253
25 1MDZ PLP 2.47253
26 1MDZ DCS 2.47253
27 5W71 9YM 2.47253
28 5CKS GAL 2.5641
29 4HVK PMP 2.6178
30 4DNJ ANN 2.74725
31 3IP6 PRO 2.80899
32 1B9I PXG 2.83505
33 1E5F PLP 3.02198
34 4RKC PMP 3.02198
35 1ELU CSS 3.02198
36 1ELU PDA 3.02198
37 6FU4 HSM 3.18841
38 6EWR PMP 3.2967
39 2OGA PGU 3.2967
40 4AZJ SEP PLP 3.33333
41 3NUB UD0 3.34262
42 5TXR PLP 3.57143
43 2XIB DFU 3.57143
44 3A8U PLP 3.84615
45 5GVL PLG 3.84615
46 5GVL GI8 3.84615
47 4OKD GLC GLC GLC 3.84615
48 5K8B PDG 4.12088
49 1O69 X04 4.12088
50 4B98 PXG 4.12088
51 1Y9G FRU 4.12088
52 6DND PLP 4.3956
53 2WK9 PLG 4.3956
54 2WK9 PLP 4.3956
55 4D4U FUC 4.44444
56 1LW4 PLP 4.61095
57 1LW4 TLP 4.61095
58 1DFO PLG 4.67033
59 2AY3 MPP 4.67033
60 2UVO NAG 4.67836
61 1OXO IK2 4.94506
62 1CL2 PPG 4.94506
63 4E3Q PMP 4.94506
64 5IWQ PLP 5.49451
65 1CEB AMH 5.68182
66 2A19 ANP 5.71429
67 2FNU PMP UD1 5.76923
68 6FYQ PLP 6.04396
69 2W8Q SIN 6.04396
70 6CZY PMP 6.07735
71 1M32 PLP 6.31868
72 1JX6 AI2 6.43275
73 6CCU PRO HIS ARG VAL 6.45161
74 1YAA MAE 6.59341
75 4ZM4 PLP 6.59341
76 2HJ9 AI2 6.78733
77 4ZAH T5K 6.81818
78 5TSU CYS 6.86813
79 6GN6 GLC 6.86813
80 4IY7 KOU 7.14286
81 4IYO 0JO 7.14286
82 4IY7 0JO 7.14286
83 4IYO NAK 7.14286
84 4DXJ 0M9 7.18232
85 6C3C EJ1 7.41758
86 4K2M O1G 7.41758
87 4AOA IK2 7.41758
88 4ZSY RW2 7.69231
89 4LNL PLG 7.80781
90 4LNL 2BO 7.80781
91 4LNL 2BK 7.80781
92 4QCK ASD 7.96703
93 5X30 7XF 9.06593
94 5X30 4LM 9.06593
95 5X2Z 3LM 9.06593
96 2X5F PLP 9.34066
97 5U23 TQP 9.34066
98 2R2N PMP 9.61539
99 2R2N KYN 9.61539
100 1WYV PLP AOA 10.1648
101 1TOI HCI 10.7143
102 5W19 9TD 10.7143
103 1PMO PLR 10.7143
104 4JE5 PMP 10.989
105 4JE5 PLP 10.989
106 2XBN PMP 10.989
107 3EI9 PL6 11.2637
108 1AJS PLA 11.5385
109 3PDB PMP 11.8132
110 3PD6 PMP 11.8132
111 2CJH AKG 12.3626
112 2ZC0 PMP 13.1868
113 4FL0 PLP 13.1868
114 3WGC PLG 13.1965
115 4BA5 PXG 14.011
116 2ZYJ PGU 14.8352
117 1C7O PPG 15.9341
118 6C9B EGV 16.7582
119 2Z9V PXM 17.033
120 6C8T EQJ 17.033
121 6C92 EQJ 17.033
122 3BWN PMP PHE 17.3077
123 3BWN PMP 17.3077
124 1FC4 AKB PLP 17.7057
125 1VJO PLP 17.8571
126 4M2K PLP 18.1319
127 3FVU IAC 19.2308
128 2R5E QLP 20.6044
129 2R5C C6P 20.6044
130 1M7Y PPG 21.1538
131 1U08 PLP 22.5275
132 5VEQ PMP 22.5275
133 1GCK ASP PLP 25.2747
134 5T4J PLP ABU 25.8242
135 1XI9 PLP 26.0989
136 2X5D PLP 26.3736
137 1GDE GLU PLP 28.8462
138 1UU1 PMP HSA 31.0448
139 2HOX P1T 36.2637
140 4R5Z PMP 39.2857
141 3CQ5 PMP 39.2857
142 4R5Z SIN 39.2857
143 1GEX PLP HSA 42.9775
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
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