Receptor
PDB id Resolution Class Description Source Keywords
1AJS 1.6 Å EC: 2.6.1.1 REFINEMENT AND COMPARISON OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2 -METHYLASPARTATE SUS SCROFA CYTOSOLIC ASPARTATE AMINOTRANSFERASE PIG IN THE PRESENCE OF LIGAND 2-METHYLASPARTATE AMINOTRANSFERASE
Ref.: REFINEMENT AND COMPARISONS OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2-METHYLASPARTATE. J.BIOL.CHEM. V. 272 17293 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLA A:415;
Valid;
none;
submit data
378.272 C13 H19 N2 O9 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AJS 1.6 Å EC: 2.6.1.1 REFINEMENT AND COMPARISON OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2 -METHYLASPARTATE SUS SCROFA CYTOSOLIC ASPARTATE AMINOTRANSFERASE PIG IN THE PRESENCE OF LIGAND 2-METHYLASPARTATE AMINOTRANSFERASE
Ref.: REFINEMENT AND COMPARISONS OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2-METHYLASPARTATE. J.BIOL.CHEM. V. 272 17293 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1AJS - PLA C13 H19 N2 O9 P Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1AJS - PLA C13 H19 N2 O9 P Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1AJS - PLA C13 H19 N2 O9 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLA; Similar ligands found: 58
No: Ligand ECFP6 Tc MDL keys Tc
1 PLA 1 1
2 PMG 0.782609 0.969231
3 PLG 0.637681 0.90625
4 CBA 0.626667 0.823529
5 IK2 0.60274 0.865672
6 76U 0.589744 0.865672
7 PDD 0.589041 0.920635
8 P1T 0.589041 0.865672
9 PP3 0.589041 0.920635
10 PDA 0.589041 0.920635
11 PPD 0.586667 0.936508
12 PDG 0.584416 0.907692
13 PGU 0.584416 0.907692
14 TLP 0.573333 0.890625
15 2BK 0.573333 0.890625
16 PLS 0.573333 0.90625
17 2BO 0.573333 0.890625
18 5PA 0.573333 0.893939
19 C6P 0.565789 0.90625
20 EA5 0.5625 0.867647
21 N5F 0.5625 0.893939
22 PY5 0.558442 0.909091
23 IN5 0.547945 0.888889
24 ILP 0.544304 0.892308
25 7XF 0.544304 0.878788
26 PSZ 0.54321 0.763889
27 PXG 0.542169 0.820895
28 33P 0.539474 0.875
29 QLP 0.5375 0.855072
30 PY6 0.530864 0.910448
31 HEY 0.530864 0.852941
32 KAM 0.529412 0.893939
33 ORX 0.52439 0.865672
34 3LM 0.52439 0.828571
35 RW2 0.52381 0.814286
36 PL4 0.52381 0.865672
37 PXP 0.522388 0.75
38 PE1 0.518072 0.865672
39 PMP 0.514706 0.8125
40 PMH 0.512821 0.670886
41 GT1 0.507246 0.727273
42 AQ3 0.505618 0.852941
43 DCS 0.5 0.730769
44 PL2 0.5 0.75
45 9YM 0.5 0.797101
46 7TS 0.487805 0.679012
47 PL8 0.449438 0.773333
48 PLR 0.441176 0.714286
49 1D0 0.44086 0.814286
50 7B9 0.43956 0.805556
51 PLP ALO 0.439024 0.846154
52 PLP 2KZ 0.433735 0.791045
53 PPG 0.433333 0.838235
54 PLP 0.402778 0.703125
55 GAB PLP 0.402174 0.779412
56 GBC PLP 0.402174 0.779412
57 AN7 0.4 0.707692
58 CAN PLP 0.4 0.826087
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AJS; Ligand: PLA; Similar sites found: 104
This union binding pocket(no: 1) in the query (biounit: 1ajs.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5X30 7XF 0.0001687 0.47826 1.50754
2 5X30 4LM 0.0007282 0.45474 1.50754
3 5X2Z 3LM 0.0003951 0.44914 1.50754
4 5U23 TQP 0.0006127 0.44918 1.57068
5 2HOX P1T 0.000000003092 0.6863 1.69903
6 5BRP PNG 0.01714 0.42031 1.69903
7 4ZAH T5K 0.0002327 0.43233 1.76768
8 3CQ5 PMP 0.000001129 0.63215 1.89702
9 2TPL HPP 0.001154 0.41634 1.94175
10 4UHO PLP 0.02146 0.41044 1.94175
11 3ZRR PXG 0.0003611 0.4593 2.08333
12 3WXL ADP 0.006376 0.43841 2.18447
13 1DFO PLG 0.0005106 0.42943 2.18447
14 1E5F PLP 0.0005103 0.46643 2.22772
15 2FYF PLP 0.001467 0.4652 2.26131
16 4L77 CNL 0.02241 0.40946 2.26131
17 2ZR9 DTP 0.02192 0.40182 2.29226
18 1ELU PDA 0.000366 0.46349 2.30769
19 1ELU CSS 0.002498 0.41962 2.30769
20 2PFY PCA 0.03374 0.4064 2.32558
21 4ZM4 PLP 0.005661 0.42237 2.42718
22 4ZM4 P3B 0.004994 0.41018 2.42718
23 4UOX PLP 0.0131 0.40895 2.42718
24 4ZSY RW2 0.005077 0.40661 2.42718
25 2OGA PGU 0.0006632 0.42871 2.50627
26 2DW7 SRT 0.02271 0.40496 2.57069
27 3ITJ CIT 0.02916 0.42383 2.66272
28 5W71 9YM 0.00177 0.44062 2.6699
29 5W71 PLP 0.0002865 0.42857 2.6699
30 4P87 4NP 0.01429 0.41967 2.74314
31 1LW4 TLP 0.0005104 0.42503 2.88184
32 1LW4 PLP 0.0003349 0.42385 2.88184
33 1JPA ANP 0.02828 0.41043 2.88462
34 3VP6 HLD 0.002129 0.41127 3.15534
35 2Z9V PXM 0.01384 0.42039 3.31633
36 1W0O SIA 0.01687 0.41408 3.39806
37 5HWC FK5 0.02704 0.4011 3.47826
38 1VJO PLP 0.006635 0.41528 3.56234
39 2WTN FER 0.02291 0.40478 3.58566
40 2W68 SIA GAL BGC 0.01409 0.41303 3.58974
41 1JS3 PLP 142 0.000961 0.44507 3.64078
42 3E2Y PMP 0.00000003612 0.54231 3.65854
43 3WGC PLG 0.0002198 0.48321 3.81232
44 3B1E P1T 0.0000006236 0.60806 3.82653
45 1M6P M6P 0.03304 0.40061 3.94737
46 1FC4 AKB PLP 0.0034 0.41738 3.99003
47 3BWN PMP 0.0000003928 0.62621 4.34783
48 3BWN PMP PHE 0.0000004152 0.57898 4.34783
49 4AOA IK2 0.007995 0.41156 4.36893
50 3QRC SCR 0.003478 0.42464 4.4586
51 1C7O PPG 0.000004517 0.54116 4.51128
52 5W70 9YM 0.0005188 0.45253 4.61165
53 2XBN PMP 0.003216 0.41179 4.61165
54 5VLC HSO 0.02665 0.40142 4.61165
55 4K2M O1G 0.000184 0.46309 4.85437
56 4BA5 PXG 0.003525 0.42791 4.85437
57 1B9I PXG 0.003027 0.40962 5.15464
58 1DJ9 KAM 0.0004772 0.46776 5.20833
59 1CL2 PPG 0.008409 0.40042 5.31646
60 1WYV PLP AOA 0.001346 0.44277 5.58252
61 5KR7 6X9 0.01812 0.40213 5.72207
62 5VIT MLI 0.01586 0.40257 6.33803
63 4HNN LYS 0.02653 0.40696 6.6474
64 3NUB UD0 0.0002794 0.41462 6.68524
65 4LNL PLG 0.0002389 0.4869 6.90691
66 4LNL 2BO 0.0003927 0.47165 6.90691
67 4JE5 PMP 0.0000001996 0.64994 7.03884
68 4JE5 PLP 0.0000002085 0.649 7.03884
69 4E3Q PMP 0.004472 0.43595 7.28155
70 4M2K PLP 0.00001022 0.57398 7.38916
71 4E1O PLP PVH 0.00117 0.42987 7.52427
72 5K8B PDG 0.000751 0.43784 7.69231
73 5DJ3 5DK 0.00001684 0.52222 7.71277
74 4AZJ SEP PLP 0.002443 0.42003 8.05556
75 4JH6 FCN 0.007125 0.43053 8.69565
76 4IY7 0JO 0.0008816 0.44262 8.81612
77 4IYO 0JO 0.0008927 0.44239 8.81612
78 4IY7 KOU 0.001027 0.43976 8.81612
79 4BJX 73B 0.01394 0.42023 9.15033
80 4WXG 2BO 0.0005981 0.4382 9.95146
81 2ZYJ PGU 0.000000004096 0.61368 10.3275
82 1LC8 33P 0.000003079 0.50761 11.5385
83 4FL0 PLP 0.0000001023 0.65427 12.1359
84 4UYF 73B 0.02079 0.41116 12.3377
85 1U08 PLP 0.0000005252 0.62927 13.2124
86 2R5E QLP 0.00000000261 0.68046 13.835
87 2R5C C6P 0.000000003376 0.67565 13.835
88 1PMO PLR 0.0004661 0.47862 14.3204
89 2X5D PLP 0.00000003194 0.49837 15.7767
90 4R5Z PMP 0.000004332 0.53039 17.7112
91 4R5Z SIN 0.000007932 0.48694 17.7112
92 1M7Y PPG 0.000000351 0.51877 17.7184
93 2R2N PMP 0.00000001142 0.69997 17.9612
94 2R2N KYN 0.006874 0.42354 17.9612
95 4FLP JQ1 0.008399 0.43385 19.3277
96 3B8I OXL 0.01799 0.4293 19.8606
97 1UU1 PMP HSA 0.000001445 0.55614 20.2985
98 1XI9 PLP 0.0000003809 0.64602 20.4433
99 1GEX PLP HSA 0.000003236 0.51376 21.0674
100 1GDE GLU PLP 0.0000000215 0.64931 22.365
101 2ZC0 PMP 0.000000002952 0.69665 23.8329
102 2X5F PLP 0.0000000002803 0.79022 25.2427
103 3EI9 PL6 0.00000004684 0.60469 29.1667
104 1V2F HCI 0.00002099 0.55822 29.6588
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