Receptor
PDB id Resolution Class Description Source Keywords
3f70 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF L3MBTL2-H4K20ME1 COMPLEX HOMO SAPIENS MBT CHROMATIN REGULATOR METAL-BINDING NUCLEUS TRANSCRIPTTRANSCRIPTION REGULATION ZINC-FINGER TRANSCRIPTION REGULASTRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC PHOSPHOPROTEIN
Ref.: METHYLATION-STATE-SPECIFIC RECOGNITION OF HISTONES MBT REPEAT PROTEIN L3MBTL2. NUCLEIC ACIDS RES. V. 37 2204 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLZ A:20;
B:20;
Valid;
Valid;
none;
none;
Kd = 14 uM
160.214 C7 H16 N2 O2 CNCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3F70 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF L3MBTL2-H4K20ME1 COMPLEX HOMO SAPIENS MBT CHROMATIN REGULATOR METAL-BINDING NUCLEUS TRANSCRIPTTRANSCRIPTION REGULATION ZINC-FINGER TRANSCRIPTION REGULASTRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC PHOSPHOPROTEIN
Ref.: METHYLATION-STATE-SPECIFIC RECOGNITION OF HISTONES MBT REPEAT PROTEIN L3MBTL2. NUCLEIC ACIDS RES. V. 37 2204 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3F70 Kd = 14 uM MLZ C7 H16 N2 O2 CNCCCC[C@@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3F70 Kd = 14 uM MLZ C7 H16 N2 O2 CNCCCC[C@@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3F70 Kd = 14 uM MLZ C7 H16 N2 O2 CNCCCC[C@@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MLZ; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 MLZ 1 1
2 ALY 0.615385 0.763158
3 HRG 0.575 0.692308
4 M3L 0.552632 0.744186
5 DLY 0.527778 0.787879
6 API 0.515152 0.611111
7 LYS 0.513514 0.764706
8 9VF 0.510204 0.607843
9 NLE 0.5 0.705882
10 MLY 0.5 0.842105
11 5CT 0.5 0.717949
12 0TF 0.489362 0.658537
13 SHR 0.489362 0.684211
14 2YG 0.479167 0.658537
15 2MR 0.478261 0.725
16 NMM 0.477273 0.74359
17 CIR 0.475 0.634146
18 ORN 0.472222 0.757576
19 ILO 0.465116 0.736842
20 ARG 0.463415 0.65
21 DAR 0.463415 0.65
22 9YT 0.461538 0.675
23 REZ 0.446809 0.609756
24 NVA 0.428571 0.647059
25 3AR 0.425532 0.666667
26 DA2 0.425532 0.666667
27 NOT 0.422222 0.609756
28 VIO 0.416667 0.682927
29 MEQ 0.414634 0.641026
30 4JK 0.413043 0.658537
31 VUR 0.413043 0.675
32 JM2 0.408163 0.775
33 WT2 0.404255 0.625
34 DAB 0.4 0.685714
35 2YJ 0.4 0.658537
Similar Ligands (3D)
Ligand no: 1; Ligand: MLZ; Similar ligands found: 253
No: Ligand Similarity coefficient
1 HOC 1.0000
2 NPI 0.9698
3 5XA 0.9644
4 LYN 0.9642
5 IAR 0.9631
6 AG2 0.9624
7 SLZ 0.9619
8 EXY 0.9604
9 DHH 0.9579
10 KQY 0.9578
11 7C3 0.9572
12 HPN 0.9553
13 OCA 0.9545
14 GGB 0.9525
15 NNH 0.9520
16 SHV 0.9507
17 ACA 0.9494
18 6HN 0.9489
19 2FM 0.9484
20 FXY 0.9478
21 UN1 0.9452
22 TEG 0.9451
23 CLT 0.9445
24 KNA 0.9445
25 DKA 0.9445
26 N6C 0.9437
27 PBN 0.9420
28 7XA 0.9410
29 OOG 0.9393
30 8AC 0.9386
31 D10 0.9373
32 ODI 0.9357
33 ZZU 0.9354
34 DDW 0.9347
35 SPD 0.9338
36 DDK 0.9331
37 ENW 0.9323
38 OYA 0.9321
39 PML 0.9311
40 CUW 0.9311
41 HAR 0.9310
42 MHN 0.9308
43 HPL 0.9305
44 AHL 0.9301
45 011 0.9295
46 NSD 0.9295
47 8SZ 0.9293
48 FB6 0.9292
49 3OL 0.9289
50 3H2 0.9285
51 N8C 0.9284
52 26P 0.9281
53 ONH 0.9278
54 4DI 0.9268
55 OC9 0.9265
56 NWH 0.9254
57 ABH 0.9249
58 7OD 0.9237
59 3OM 0.9229
60 GVA 0.9215
61 NMH 0.9196
62 HC4 0.9190
63 DIR 0.9182
64 E8U 0.9180
65 O45 0.9177
66 11C 0.9172
67 5OY 0.9161
68 DIA 0.9154
69 0L1 0.9152
70 F98 0.9150
71 2NP 0.9147
72 1N5 0.9145
73 NTU 0.9137
74 XOG 0.9133
75 MF3 0.9128
76 6Q3 0.9120
77 S8V 0.9118
78 GRQ 0.9115
79 M1T 0.9111
80 6XA 0.9103
81 I38 0.9099
82 AE3 0.9097
83 ENV 0.9095
84 GLN 0.9094
85 AKG 0.9086
86 SSB 0.9084
87 M3P 0.9080
88 JX7 0.9078
89 HGA 0.9064
90 9J6 0.9064
91 MET 0.9054
92 MSE 0.9050
93 ONL 0.9044
94 4TB 0.9041
95 ZE7 0.9031
96 DAV 0.9028
97 L06 0.9028
98 GLU 0.9023
99 NF3 0.9022
100 650 0.9019
101 DHC 0.9018
102 DHM 0.9016
103 KDG 0.9015
104 BHL 0.9013
105 HNE 0.9011
106 N9J 0.9010
107 3GZ 0.9008
108 TCA 0.9003
109 AHN 0.9003
110 13P 0.9000
111 7BC 0.8985
112 KMT 0.8978
113 37Z 0.8978
114 CXP 0.8966
115 EGV 0.8964
116 LPB 0.8960
117 PBA 0.8960
118 OHJ 0.8958
119 NYL 0.8955
120 264 0.8955
121 N4B 0.8946
122 PRA 0.8944
123 OGA 0.8943
124 LPA 0.8933
125 Z70 0.8933
126 16D 0.8927
127 5AB 0.8927
128 P80 0.8922
129 HCI 0.8921
130 3YP 0.8910
131 OCT 0.8906
132 B3U 0.8904
133 BNF 0.8902
134 MVH 0.8902
135 RGP 0.8902
136 IVL 0.8900
137 HPO 0.8899
138 ALE 0.8899
139 QBM 0.8894
140 DA3 0.8891
141 2IT 0.8889
142 K6V 0.8889
143 DLT 0.8881
144 GLY GLY GLY 0.8880
145 5PV 0.8875
146 HL4 0.8874
147 64Z 0.8874
148 XIZ 0.8867
149 LUQ 0.8865
150 CIY 0.8858
151 TYR 0.8857
152 DNN 0.8853
153 KAP 0.8853
154 3KJ 0.8851
155 PG0 0.8844
156 B3M 0.8844
157 XRX 0.8844
158 Q9Z 0.8842
159 URO 0.8840
160 DZA 0.8838
161 1HS 0.8836
162 FOM 0.8836
163 HL6 0.8834
164 2JJ 0.8833
165 MHO 0.8833
166 QFJ 0.8831
167 4ZD 0.8816
168 S2G 0.8814
169 SB7 0.8807
170 E4P 0.8804
171 LT1 0.8801
172 2HG 0.8798
173 ENO 0.8797
174 Q06 0.8793
175 S2C 0.8781
176 RA7 0.8779
177 49F 0.8778
178 PH3 0.8774
179 C9M 0.8773
180 5TO 0.8771
181 J9Y 0.8767
182 B40 0.8765
183 KPC 0.8758
184 MES 0.8756
185 GUA 0.8754
186 4CF 0.8747
187 N7I 0.8745
188 DE5 0.8743
189 ISA 0.8736
190 FER 0.8730
191 58X 0.8727
192 MED 0.8722
193 4BF 0.8721
194 OKG 0.8720
195 PO6 0.8718
196 263 0.8717
197 XDE 0.8717
198 1H1 0.8716
199 EOU 0.8713
200 MSL 0.8710
201 ASF 0.8708
202 268 0.8703
203 55D 0.8698
204 9GB 0.8696
205 PAU 0.8696
206 X1R 0.8692
207 HJD 0.8692
208 LTL 0.8689
209 HIC 0.8684
210 DXP 0.8683
211 4TP 0.8681
212 TYC 0.8681
213 GOE 0.8680
214 NLP 0.8676
215 DTY 0.8670
216 SOL 0.8667
217 FHC 0.8664
218 SME 0.8658
219 7UC 0.8657
220 MPJ 0.8656
221 37E 0.8654
222 MTL 0.8647
223 2J3 0.8638
224 SZ7 0.8638
225 258 0.8636
226 S2P 0.8636
227 CXH 0.8630
228 AZM 0.8626
229 MPH 0.8623
230 PRO GLY 0.8623
231 PMV 0.8620
232 CS2 0.8620
233 PTU 0.8615
234 0VT 0.8613
235 RP3 0.8610
236 A51 0.8607
237 PUW 0.8603
238 XRS 0.8600
239 KPV 0.8598
240 BHU 0.8598
241 GJK 0.8589
242 TL6 0.8585
243 1X4 0.8583
244 GO2 0.8581
245 GLR 0.8578
246 1SH 0.8574
247 PFF 0.8570
248 EN1 0.8570
249 MPV 0.8550
250 RP5 0.8549
251 U4G 0.8537
252 A5P 0.8520
253 2ED 0.8519
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3F70; Ligand: MLZ; 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: 3f70.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3F70; Ligand: MLZ; 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: 3f70.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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