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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;
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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 8 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 P1T 0.589041 0.865672
8 PP3 0.589041 0.920635
9 PDA 0.589041 0.920635
10 PDD 0.589041 0.920635
11 PPD 0.586667 0.936508
12 PDG 0.584416 0.907692
13 PGU 0.584416 0.907692
14 2BK 0.573333 0.890625
15 5PA 0.573333 0.893939
16 PLS 0.573333 0.90625
17 TLP 0.573333 0.890625
18 2BO 0.573333 0.890625
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 7XF 0.544304 0.878788
25 ILP 0.544304 0.892308
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 LPI 0.5375 0.897059
31 PY6 0.530864 0.910448
32 HEY 0.530864 0.852941
33 KAM 0.529412 0.893939
34 ORX 0.52439 0.865672
35 3LM 0.52439 0.828571
36 RW2 0.52381 0.814286
37 PL4 0.52381 0.865672
38 PXP 0.522388 0.75
39 PE1 0.518072 0.865672
40 PMP 0.514706 0.8125
41 PMH 0.512821 0.670886
42 GT1 0.507246 0.727273
43 AQ3 0.505618 0.852941
44 PL2 0.5 0.75
45 9YM 0.5 0.797101
46 DCS 0.5 0.730769
47 7TS 0.487805 0.679012
48 PL8 0.449438 0.773333
49 RMT 0.444444 0.757143
50 PLR 0.441176 0.714286
51 1D0 0.44086 0.814286
52 7B9 0.43956 0.805556
53 PLP 2KZ 0.433735 0.791045
54 PPG 0.433333 0.838235
55 PLP 0.402778 0.703125
56 GAB PLP 0.402174 0.779412
57 GBC PLP 0.402174 0.779412
58 AN7 0.4 0.707692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AJS; Ligand: PLA; Similar sites found with APoc: 156
This union binding pocket(no: 1) in the query (biounit: 1ajs.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1UP7 G6P 1.45631
2 3A8U PLP 1.45631
3 5X2Z 3LM 1.50754
4 5X30 7XF 1.50754
5 5X30 4LM 1.50754
6 5U23 TQP 1.57068
7 2HOX P1T 1.69903
8 5BRP PNG 1.69903
9 4ZAH T5K 1.76768
10 3CQ5 PMP 1.89702
11 5TXR PLP 1.94175
12 2TPL HPP 1.94175
13 6ECG PM9 1.94175
14 4UHO PLP 1.94175
15 4O8A 2OP 1.94175
16 3ZRR PXG 2.08333
17 3WXL ADP 2.18447
18 1DFO PLG 2.18447
19 5GVL PLG 2.18447
20 5GVL GI8 2.18447
21 1E5F PLP 2.22772
22 2FYF PLP 2.26131
23 4L77 CNL 2.26131
24 2ZR9 DTP 2.29226
25 3B8X G4M 2.30769
26 1ELU PDA 2.30769
27 1ELU CSS 2.30769
28 2PFY PCA 2.32558
29 3FRK TQP 2.41287
30 4ZM4 P3B 2.42718
31 4UOX PLP 2.42718
32 4ZSY RW2 2.42718
33 4ZM4 PLP 2.42718
34 2OGA PGU 2.50627
35 2DW7 SRT 2.57069
36 3ITJ CIT 2.66272
37 5W71 9YM 2.6699
38 5YKT PMP 2.6699
39 5W71 PLP 2.6699
40 4JX1 CAH 2.6699
41 6B9T 2HE 2.6699
42 4P87 4NP 2.74314
43 1LW4 TLP 2.88184
44 1LW4 PLP 2.88184
45 1JPA ANP 2.88462
46 6CD1 PLG 2.91262
47 6CD1 PLS 2.91262
48 5I85 PC 2.91262
49 4ADC PLP 2.95567
50 5T4J PLP ABU 3.0137
51 6FYQ PLP 3.15534
52 2PO3 T4K 3.15534
53 3VP6 HLD 3.15534
54 3ETG GWD 3.15534
55 1O69 X04 3.29949
56 5GJO PLP 3.29949
57 2Z9V PXM 3.31633
58 1W0O SIA 3.39806
59 2FNU PMP UD1 3.46667
60 5HWC FK5 3.47826
61 5H3A UMP 3.53357
62 1VJO PLP 3.56234
63 2WTN FER 3.58566
64 2W68 SIA GAL BGC 3.58974
65 3DR4 G4M 3.64078
66 6C3C EJ1 3.64078
67 4WOE 3S5 3.64078
68 1JS3 PLP 142 3.64078
69 5VEQ PMP 3.64964
70 3WGC PLG 3.81232
71 1M6P M6P 3.94737
72 1FC4 AKB PLP 3.99003
73 1H74 ILE 4.05405
74 6EWR PMP 4.12621
75 3BWN PMP PHE 4.34783
76 3BWN PMP 4.34783
77 4XZ3 ACP 4.34783
78 3FVU IAC 4.36893
79 4AOA IK2 4.36893
80 3QRC SCR 4.4586
81 1C7O PPG 4.51128
82 5W70 9YM 4.61165
83 2XBN PMP 4.61165
84 5VLC HSO 4.61165
85 4HVK PMP 4.71204
86 6HL8 GUA 4.81586
87 4K2M O1G 4.85437
88 4BA5 PXG 4.85437
89 1B9I PXG 5.15464
90 1DJ9 KAM 5.20833
91 5TPV TYD 5.22876
92 1CL2 PPG 5.31646
93 2WK9 PLG 5.39846
94 2WK9 PLP 5.39846
95 1WYV PLP AOA 5.58252
96 5W6Y TRP 5.6962
97 5KR7 6X9 5.72207
98 4O48 ASP 5.72289
99 5O0J GLC 5.82524
100 3FQ8 PMP 5.82524
101 5VIT MLI 6.33803
102 4HNN LYS 6.6474
103 3NUB UD0 6.68524
104 5M3Z PLP 6.78392
105 5M3Z PY6 6.78392
106 5M3Z NLE 6.78392
107 4LNL PLG 6.90691
108 4LNL 2BO 6.90691
109 4LNL 2BK 6.90691
110 4JE5 PMP 7.03884
111 4JE5 PLP 7.03884
112 4E3Q PMP 7.28155
113 4M2K PLP 7.38916
114 4E1O PLP PVH 7.52427
115 5K8B PDG 7.69231
116 6C8T EQJ 7.71277
117 6C92 EQJ 7.71277
118 6C9B EGV 7.71277
119 6C92 EGV 7.71277
120 6CZY PMP 7.73481
121 1ZM1 BGC BGC BGC 7.88382
122 4AZJ SEP PLP 8.05556
123 4JH6 FCN 8.69565
124 4IY7 0JO 8.81612
125 4IYO 0JO 8.81612
126 4IY7 KOU 8.81612
127 5LXT GTP 9.09091
128 4BJX 73B 9.15033
129 4WXG 2BO 9.95146
130 2ZYJ PGU 10.3275
131 2A9G ARG 10.4369
132 4RJD TFP 10.6061
133 1LC8 33P 11.5385
134 4FL0 PLP 12.1359
135 4UYF 73B 12.3377
136 5W19 9TD 12.3786
137 1U08 PLP 13.2124
138 2R5E QLP 13.835
139 2R5C C6P 13.835
140 1PMO PLR 14.3204
141 2X5D PLP 15.7767
142 4R5Z SIN 17.7112
143 4R5Z PMP 17.7112
144 1M7Y PPG 17.7184
145 2R2N PMP 17.9612
146 2R2N KYN 17.9612
147 4FLP JQ1 19.3277
148 3B8I OXL 19.8606
149 1UU1 PMP HSA 20.2985
150 1XI9 PLP 20.4433
151 1GEX PLP HSA 21.0674
152 1GDE GLU PLP 22.365
153 2ZC0 PMP 23.8329
154 2X5F PLP 25.2427
155 3EI9 PL6 29.1667
156 1V2F HCI 29.6588
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