Receptor
PDB id Resolution Class Description Source Keywords
6MAX 1.42 Å EC: 3.1.26.5 CRYSTAL STRUCTURE OF RIBONUCLEASE P PROTEIN FROM THERMOTOGA IN COMPLEX WITH PURPURIN THERMOTOGA MARITIMA P PROTEIN RNA BINDING PROTEIN HYDROLASE
Ref.: A SCREENING PLATFORM TO MONITOR RNA PROCESSING AND PROTEIN-RNA INTERACTIONS IN RIBONUCLEASE P UNCOVERS MOLECULE INHIBITOR. NUCLEIC ACIDS RES. V. 47 6425 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:201;
A:202;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
9TF A:203;
 Valid;
 none;
 Ki = 1.9 uM
256.21 C14 H8 O5 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6MAX 1.42 Å EC: 3.1.26.5 CRYSTAL STRUCTURE OF RIBONUCLEASE P PROTEIN FROM THERMOTOGA IN COMPLEX WITH PURPURIN THERMOTOGA MARITIMA P PROTEIN RNA BINDING PROTEIN HYDROLASE
Ref.: A SCREENING PLATFORM TO MONITOR RNA PROCESSING AND PROTEIN-RNA INTERACTIONS IN RIBONUCLEASE P UNCOVERS MOLECULE INHIBITOR. NUCLEIC ACIDS RES. V. 47 6425 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6MAX Ki = 1.9 uM 9TF C14 H8 O5 c1ccc2c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6MAX Ki = 1.9 uM 9TF C14 H8 O5 c1ccc2c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6MAX Ki = 1.9 uM 9TF C14 H8 O5 c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 9TF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9TF 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 9TF; Similar ligands found: 204
No: Ligand Similarity coefficient
1 537 0.9551
2 TXQ 0.9532
3 EMO 0.9501
4 E1K 0.9480
5 8SK 0.9395
6 BA5 0.9379
7 NRA 0.9360
8 MNY 0.9352
9 JTA 0.9344
10 GNV 0.9333
11 3J8 0.9324
12 TIY 0.9322
13 LFN 0.9294
14 XM5 0.9285
15 19E 0.9271
16 RHN 0.9264
17 IQZ 0.9255
18 DNQ 0.9254
19 JRO 0.9250
20 REF 0.9248
21 ZSP 0.9242
22 THA 0.9239
23 1YL 0.9219
24 HNA 0.9202
25 68A 0.9184
26 1EL 0.9184
27 DX7 0.9181
28 MNX 0.9177
29 ANC 0.9174
30 344 0.9174
31 H4B 0.9160
32 BGU 0.9157
33 54X 0.9154
34 6QF 0.9144
35 S60 0.9137
36 8MO 0.9133
37 AA 0.9132
38 ANF 0.9127
39 5WT 0.9112
40 LUM 0.9102
41 NOM 0.9096
42 M3F 0.9095
43 Q0K 0.9087
44 1DR 0.9086
45 5V7 0.9084
46 DPT 0.9078
47 GNM 0.9069
48 UXH 0.9057
49 39Z 0.9057
50 6TJ 0.9053
51 DRG 0.9050
52 582 0.9044
53 9CE 0.9030
54 N0Z 0.9021
55 H5B 0.9021
56 GNJ 0.9019
57 9KZ 0.9013
58 B56 0.9009
59 2AN 0.9007
60 F40 0.8997
61 CX6 0.8993
62 6FB 0.8990
63 9AP 0.8981
64 3Y7 0.8977
65 5TY 0.8977
66 HHS 0.8976
67 AZN 0.8969
68 II4 0.8959
69 CUE 0.8957
70 LDR 0.8954
71 DXK 0.8950
72 4AN 0.8949
73 2JK 0.8946
74 CZ0 0.8945
75 465 0.8943
76 S98 0.8940
77 2WU 0.8938
78 1V3 0.8936
79 CNI 0.8934
80 AO6 0.8932
81 JF8 0.8929
82 PRL 0.8925
83 BIO 0.8914
84 BPU 0.8908
85 1HN 0.8899
86 V1T 0.8897
87 DNA 0.8894
88 WS7 0.8891
89 EQU 0.8891
90 2GQ 0.8890
91 DK1 0.8884
92 5NN 0.8883
93 DX2 0.8881
94 JY4 0.8877
95 BGC BGC 0.8877
96 E2Q 0.8874
97 FQX 0.8871
98 AQN 0.8859
99 ADL 0.8858
100 ZYR 0.8853
101 IXM 0.8852
102 WUB 0.8846
103 8G6 0.8843
104 GNY 0.8842
105 TCR 0.8831
106 JP2 0.8830
107 18E 0.8830
108 3UG 0.8829
109 CHQ 0.8825
110 0FR 0.8818
111 B52 0.8817
112 GJP 0.8817
113 LP8 0.8815
114 HRD 0.8813
115 4KL 0.8812
116 96U 0.8810
117 G12 0.8810
118 CLZ 0.8799
119 NYJ 0.8799
120 2J1 0.8796
121 K44 0.8794
122 272 0.8789
123 BZJ 0.8789
124 774 0.8787
125 BIK 0.8785
126 DY9 0.8784
127 OAL 0.8783
128 WS6 0.8781
129 P9I 0.8778
130 FLV 0.8776
131 T28 0.8775
132 P4L 0.8771
133 EST 0.8771
134 AN3 0.8763
135 9OF 0.8758
136 3GX 0.8758
137 ITE 0.8757
138 226 0.8756
139 MXX 0.8751
140 4RU 0.8750
141 HBI 0.8748
142 YEX 0.8748
143 B21 0.8746
144 OPA 0.8742
145 1QV 0.8740
146 BPY 0.8740
147 W8L 0.8740
148 3R4 0.8734
149 YE7 0.8730
150 1V4 0.8727
151 A73 0.8727
152 OTA 0.8725
153 1V1 0.8720
154 PEY 0.8716
155 HRM 0.8715
156 PIQ 0.8715
157 CDJ 0.8710
158 2V4 0.8708
159 JG8 0.8706
160 X0T 0.8706
161 VUP 0.8706
162 2QU 0.8704
163 609 0.8701
164 PK3 0.8701
165 IDZ 0.8699
166 H2W 0.8696
167 20D 0.8696
168 COL 0.8695
169 X0U 0.8695
170 3QV 0.8688
171 YZ9 0.8685
172 M3W 0.8678
173 HBO 0.8678
174 X11 0.8676
175 Z21 0.8669
176 AMR 0.8668
177 8HC 0.8665
178 2FQ 0.8665
179 E9L 0.8664
180 0FK 0.8658
181 2MQ 0.8657
182 3D8 0.8657
183 VAR 0.8656
184 F2W 0.8651
185 113 0.8643
186 OAI 0.8643
187 1X8 0.8643
188 DFL 0.8640
189 JWS 0.8630
190 39O 0.8628
191 4E3 0.8627
192 CKA 0.8625
193 K25 0.8620
194 CLI 0.8619
195 25F 0.8616
196 7I2 0.8612
197 4AU 0.8611
198 3WL 0.8593
199 ZRL 0.8593
200 78Y 0.8575
201 AXX 0.8561
202 K2C 0.8555
203 0UL 0.8554
204 KLV 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6MAX; Ligand: 9TF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6max.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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