Receptor
PDB id Resolution Class Description Source Keywords
2C8M 1.89 Å EC: 6.3.2.- STRUCTURE OF PROTEIN TA0514, PUTATIVE LIPOATE PROTEIN LIGASE ACIDOPHILUM WITH BOUND LIPOIC ACID THERMOPLASMA ACIDOPHILUM LIPOYLATION LIGASE
Ref.: STRUCTURE OF A PUTATIVE LIPOATE PROTEIN LIGASE FROM THERMOPLASMA ACIDOPHILUM AND THE MECHANISM OF TARGE SELECTION FOR POST-TRANSLATIONAL MODIFICATION. J.MOL.BIOL. V. 356 625 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LPA A:900;
B:900;
C:900;
D:900;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
206.326 C8 H14 O2 S2 C1CSS...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ART 2.4 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF LIPOATE-PROTEIN LIGASE A BOUND WITH LIPOYL-AMP THERMOPLASMA ACIDOPHILUM LIGASE
Ref.: CRYSTAL STRUCTURE OF LIPOATE-PROTEIN LIGASE A BOUND WITH THE ACTIVATED INTERMEDIATE: INSIGHTS INTO INTERACTION WITH LIPOYL DOMAINS J.BIOL.CHEM. V. 280 38081 2005
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 2ARU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2ART - LPA AMP n/a n/a
3 2C8M - LPA C8 H14 O2 S2 C1CSS[C@@H....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 2ARU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2ART - LPA AMP n/a n/a
3 2C8M - LPA C8 H14 O2 S2 C1CSS[C@@H....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 2ARU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2ART - LPA AMP n/a n/a
3 2C8M - LPA C8 H14 O2 S2 C1CSS[C@@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LPA; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 LPB 1 1
2 LPA 1 1
3 8NW 0.557692 0.627907
Similar Ligands (3D)
Ligand no: 1; Ligand: LPA; Similar ligands found: 194
No: Ligand Similarity coefficient
1 N8C 0.9349
2 IJ6 0.9341
3 DHH 0.9338
4 NPI 0.9338
5 6HN 0.9331
6 ARG 0.9316
7 TEG 0.9310
8 5PV 0.9309
9 GVA 0.9308
10 JX7 0.9295
11 IAR 0.9294
12 MLY 0.9285
13 PML 0.9258
14 EXY 0.9256
15 HAR 0.9248
16 ZE7 0.9246
17 4TB 0.9210
18 011 0.9201
19 3CX 0.9194
20 DAR 0.9191
21 DIA 0.9186
22 OJD 0.9175
23 ODI 0.9168
24 9J6 0.9165
25 KAP 0.9162
26 KNA 0.9157
27 ENV 0.9151
28 5TO 0.9147
29 6FG 0.9143
30 OCA 0.9142
31 SPD 0.9141
32 BSA 0.9140
33 DNN 0.9139
34 CIR 0.9135
35 ALY 0.9133
36 6C8 0.9129
37 GGB 0.9123
38 11X 0.9111
39 3GZ 0.9104
40 4DI 0.9101
41 0QA 0.9098
42 NNH 0.9097
43 4JK 0.9093
44 JMG 0.9092
45 WT2 0.9091
46 KPV 0.9082
47 37E 0.9067
48 6C4 0.9066
49 CLT 0.9060
50 DKA 0.9060
51 SB7 0.9059
52 D53 0.9058
53 T03 0.9057
54 API 0.9054
55 ILO 0.9044
56 58X 0.9042
57 1PS 0.9037
58 XRS 0.9029
59 3KJ 0.9029
60 ENW 0.9029
61 UN1 0.9029
62 D10 0.9028
63 HRG 0.9028
64 L06 0.9026
65 8AC 0.9025
66 GLY GLY GLY 0.9024
67 DA2 0.9019
68 6XA 0.9016
69 26P 0.9013
70 NOT 0.9010
71 LUQ 0.9009
72 WA1 0.9007
73 KLE 0.9005
74 GRQ 0.9002
75 M3L 0.9002
76 6C9 0.8993
77 EYJ 0.8981
78 S2C 0.8981
79 ZZU 0.8976
80 NMM 0.8972
81 KPC 0.8965
82 XRX 0.8963
83 E8U 0.8952
84 6C5 0.8949
85 6CL 0.8948
86 FB6 0.8946
87 HPL 0.8943
88 KLS 0.8936
89 OOG 0.8934
90 MLZ 0.8933
91 HJD 0.8930
92 64Z 0.8926
93 2J3 0.8923
94 J4K 0.8919
95 VUR 0.8919
96 7XA 0.8916
97 2FM 0.8902
98 Z70 0.8901
99 MGB 0.8895
100 EGV 0.8886
101 0L1 0.8885
102 HC4 0.8879
103 NFZ 0.8877
104 DHC 0.8874
105 AHL 0.8874
106 GGG 0.8872
107 S0B 0.8869
108 MKN 0.8868
109 N9M 0.8865
110 GB5 0.8865
111 MHN 0.8850
112 4BX 0.8850
113 GHQ 0.8849
114 XOG 0.8849
115 DDK 0.8848
116 S0A 0.8844
117 5O5 0.8833
118 YIH 0.8833
119 M1T 0.8827
120 G14 0.8827
121 HSA 0.8825
122 AG2 0.8821
123 U4G 0.8819
124 REG 0.8814
125 2MR 0.8805
126 RED 0.8805
127 DDW 0.8802
128 BSU 0.8802
129 1HS 0.8799
130 RDV 0.8797
131 G3M 0.8794
132 OYA 0.8789
133 FXY 0.8789
134 LZ5 0.8784
135 68B 0.8767
136 AOY 0.8767
137 3H2 0.8765
138 1N5 0.8764
139 4YZ 0.8758
140 TPM 0.8752
141 BZM 0.8743
142 OC9 0.8740
143 HL6 0.8736
144 YIP 0.8729
145 FHV 0.8726
146 6P3 0.8726
147 MF3 0.8712
148 HPO 0.8704
149 5H6 0.8703
150 RGP 0.8702
151 PQM 0.8701
152 2NP 0.8697
153 KQY 0.8695
154 PMV 0.8693
155 SHV 0.8693
156 TBJ 0.8691
157 11C 0.8690
158 PQS 0.8685
159 9OD 0.8681
160 K0G 0.8680
161 8CV 0.8673
162 A51 0.8669
163 CT0 0.8667
164 LR8 0.8663
165 4Z0 0.8660
166 3VQ 0.8653
167 3S9 0.8651
168 8YH 0.8646
169 6FR 0.8644
170 S0D 0.8641
171 FZ3 0.8630
172 381 0.8628
173 DTB 0.8625
174 S8G 0.8623
175 NRG 0.8621
176 HPZ 0.8620
177 PHQ DAL 0.8614
178 VFJ 0.8611
179 HPK 0.8603
180 HPN 0.8603
181 6N4 0.8601
182 D26 0.8601
183 SNR 0.8600
184 I2E 0.8592
185 27K 0.8591
186 OLU 0.8589
187 72D 0.8586
188 DX5 0.8586
189 F63 0.8585
190 1EB 0.8576
191 R52 0.8569
192 9YT 0.8564
193 Q06 0.8547
194 R5P 0.8542
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ART; Ligand: LPA AMP; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 2art.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2E5A LAQ 46.1832
2 6JOM LAQ 46.9466
3 3A7R LAQ 48.4733
4 5T8U LPA 48.855
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