Receptor
PDB id Resolution Class Description Source Keywords
2RHX 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE 3-MBT REPEATS FROM HUMAN L3MBTL1 BOUND TO DIMETHYL-LYSINE HOMO SAPIENS BETA BARREL DIMETHYL-LYSINE ALTERNATIVE SPLICING CHROMATIN REGULATOR DNA-BINDING METAL-BINDING NUCLEUS REPRESSOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER
Ref.: STRUCTURAL BASIS FOR LOWER LYSINE METHYLATION STATE-SPECIFIC READOUT BY MBT REPEATS OF L3MBTL1 AND AN ENGINEERED PHD FINGER. MOL.CELL V. 28 677 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLY A:537;
 Valid;
 none;
 submit data
174.241 C8 H18 N2 O2 CN(C)...
PG4 A:538;
 Invalid;
 none;
 submit data
194.226 C8 H18 O5 C(COC...
PGE A:539;
 Invalid;
 none;
 submit data
150.173 C6 H14 O4 C(COC...
SO4 A:1;
A:2;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2RHI 1.66 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE 3-MBT DOMAIN FROM HUMAN L3MBTL1 IN COMPLEX WITH H1.5K27ME2 AT 1.66 ANGSTROM HOMO SAPIENS BETA BARREL PROTEIN-PEPTIDE COMPLEX DIMETHYL-LYSINE ALTERNATIVE SPLICING CHROMATIN REGULATOR DNA-BINDING METAL-BINDING NUCLEUS REPRESSOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER TRANSCRIPTION/NUCLEAR PROTEIN COMPLEX
Ref.: STRUCTURAL BASIS FOR LOWER LYSINE METHYLATION STATE-SPECIFIC READOUT BY MBT REPEATS OF L3MBTL1 AND AN ENGINEERED PHD FINGER. MOL.CELL V. 28 677 2007
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2RHX - MLY C8 H18 N2 O2 CN(C)CCCC[....
2 2RHU - MLY C8 H18 N2 O2 CN(C)CCCC[....
3 3OQ5 - THR SER ARG HIS LYS MLZ LEU MET PHE LYS n/a n/a
4 2PQW - ARG HIS ARG MLY VAL LEU ARG ASP ASN n/a n/a
5 2RHY - MLZ C7 H16 N2 O2 CNCCCC[C@@....
6 2RHI - LYS ALA THR LYS MLY n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2RHX - MLY C8 H18 N2 O2 CN(C)CCCC[....
2 2RHU - MLY C8 H18 N2 O2 CN(C)CCCC[....
3 3OQ5 - THR SER ARG HIS LYS MLZ LEU MET PHE LYS n/a n/a
4 2PQW - ARG HIS ARG MLY VAL LEU ARG ASP ASN n/a n/a
5 2RHY - MLZ C7 H16 N2 O2 CNCCCC[C@@....
6 2RHI - LYS ALA THR LYS MLY n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2RHX - MLY C8 H18 N2 O2 CN(C)CCCC[....
2 2RHU - MLY C8 H18 N2 O2 CN(C)CCCC[....
3 3OQ5 - THR SER ARG HIS LYS MLZ LEU MET PHE LYS n/a n/a
4 2PQW - ARG HIS ARG MLY VAL LEU ARG ASP ASN n/a n/a
5 2RHY - MLZ C7 H16 N2 O2 CNCCCC[C@@....
6 2RHI - LYS ALA THR LYS MLY n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MLY; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 MLY 1 1
2 DLY 0.527778 0.657895
3 LYS 0.513514 0.641026
4 M3L 0.512821 0.880952
5 NLE 0.5 0.631579
6 ALY 0.5 0.651163
7 MLZ 0.5 0.842105
8 ORN 0.472222 0.631579
9 DA2 0.456522 0.755556
10 5KJ 0.446809 0.653846
11 ILO 0.431818 0.627907
12 NMM 0.413043 0.636364
Similar Ligands (3D)
Ligand no: 1; Ligand: MLY; Similar ligands found: 190
No: Ligand Similarity coefficient
1 NPI 0.9961
2 ARG 0.9957
3 CIR 0.9957
4 DAR 0.9849
5 IAR 0.9849
6 EXY 0.9834
7 GGB 0.9810
8 DHH 0.9797
9 6HN 0.9720
10 WT2 0.9639
11 4JK 0.9636
12 26P 0.9631
13 ABH 0.9620
14 PML 0.9585
15 ZZU 0.9580
16 VUR 0.9574
17 HAR 0.9572
18 HOC 0.9569
19 GVA 0.9450
20 NNH 0.9443
21 NOT 0.9423
22 API 0.9400
23 OCA 0.9379
24 ENW 0.9355
25 AHL 0.9354
26 FB6 0.9333
27 HRG 0.9306
28 OOG 0.9295
29 TZP 0.9293
30 LPA 0.9285
31 RGP 0.9277
32 9J6 0.9267
33 011 0.9257
34 KAP 0.9252
35 TEG 0.9223
36 PBA 0.9221
37 1PS 0.9212
38 2NP 0.9190
39 LYN 0.9186
40 2FM 0.9179
41 5AB 0.9175
42 3KJ 0.9169
43 S2C 0.9164
44 SLZ 0.9164
45 UN1 0.9161
46 2OR 0.9143
47 M3P 0.9138
48 LPB 0.9133
49 PBN 0.9132
50 4DI 0.9125
51 FXY 0.9102
52 FOM 0.9088
53 Z70 0.9087
54 ONH 0.9086
55 G3M 0.9084
56 2MR 0.9077
57 JX7 0.9067
58 7XA 0.9058
59 ENV 0.9048
60 9YT 0.9038
61 DXP 0.9030
62 8AC 0.9021
63 MF3 0.9019
64 CLT 0.9018
65 DKA 0.9017
66 KNA 0.9017
67 DDK 0.9013
68 1HS 0.9012
69 OJD 0.9006
70 RED 0.9003
71 2JJ 0.9003
72 DHC 0.9000
73 XOG 0.8998
74 VIO 0.8990
75 58X 0.8986
76 ODI 0.8980
77 6XA 0.8980
78 AZM 0.8977
79 0L1 0.8977
80 PMV 0.8974
81 NWH 0.8973
82 GRQ 0.8971
83 XRX 0.8970
84 DEZ 0.8969
85 4TB 0.8964
86 DA3 0.8960
87 IJ6 0.8959
88 O45 0.8958
89 AHN 0.8957
90 KPV 0.8956
91 5PV 0.8946
92 AG2 0.8936
93 8SZ 0.8928
94 CUW 0.8928
95 AOY 0.8924
96 5TO 0.8923
97 EGV 0.8923
98 S0A 0.8920
99 5OY 0.8914
100 7OD 0.8909
101 OC9 0.8905
102 PC 0.8904
103 TCA 0.8903
104 Q06 0.8903
105 F98 0.8894
106 3GZ 0.8893
107 SPD 0.8890
108 E8U 0.8889
109 L06 0.8889
110 KPC 0.8888
111 N8C 0.8887
112 1N5 0.8883
113 PAU 0.8882
114 SB7 0.8879
115 HPL 0.8878
116 R10 0.8872
117 A51 0.8863
118 NMH 0.8858
119 2J3 0.8853
120 11C 0.8844
121 3OL 0.8842
122 LUQ 0.8841
123 3YP 0.8836
124 DNN 0.8835
125 M1T 0.8832
126 ACA 0.8831
127 DLT 0.8830
128 OYA 0.8825
129 37E 0.8824
130 XRS 0.8822
131 A5P 0.8820
132 HL4 0.8813
133 P80 0.8813
134 6Q3 0.8810
135 PA5 0.8809
136 DHM 0.8798
137 5XA 0.8796
138 6FG 0.8789
139 SSB 0.8786
140 7UC 0.8784
141 CXP 0.8782
142 DX5 0.8781
143 IVL 0.8780
144 KPA 0.8779
145 GLY GLY GLY 0.8777
146 D10 0.8772
147 DED 0.8772
148 AE3 0.8771
149 FER 0.8769
150 I38 0.8768
151 MVH 0.8767
152 QFJ 0.8766
153 HE8 0.8757
154 6C4 0.8755
155 MHN 0.8752
156 3OM 0.8749
157 7C3 0.8746
158 KQY 0.8738
159 37Z 0.8734
160 HPO 0.8728
161 DZA 0.8721
162 9GB 0.8721
163 N6C 0.8712
164 GJK 0.8705
165 5SP 0.8700
166 SB9 0.8696
167 HPN 0.8695
168 1X4 0.8694
169 D53 0.8680
170 R5P 0.8675
171 PAN 0.8673
172 JPQ 0.8669
173 MES 0.8664
174 BSA 0.8664
175 DIR 0.8664
176 C9M 0.8653
177 SHV 0.8648
178 7BC 0.8640
179 DER 0.8621
180 CIY 0.8613
181 5LD 0.8598
182 7MW 0.8596
183 HSA 0.8595
184 DMA 0.8585
185 SSC 0.8571
186 TBJ 0.8563
187 1OV 0.8556
188 0V7 0.8539
189 6FR 0.8535
190 DXG 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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