-->
Receptor
PDB id Resolution Class Description Source Keywords
4AU7 2.07 Å EC: 2.1.1.43 THE STRUCTURE OF THE SUV4-20H2 TERNARY COMPLEX WITH HISTONE MUS MUSCULUS TRANSFERASE EPIGENETICS
Ref.: A NOVEL ROUTE TO PRODUCT SPECIFICITY IN THE SUV4-20 OF HISTONE H4K20 METHYLTRANSFERASES. NUCLEIC ACIDS RES. V. 42 661 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1256;
B:1226;
B:1225;
B:1222;
A:1255;
B:1224;
B:1221;
B:1223;
A:1257;
A:1252;
A:1253;
B:1220;
A:1250;
A:1254;
B:1227;
A:1251;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ZN B:1219;
A:1249;
A:1248;
Invalid;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
SAH A:1247;
Valid;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
ARG HIS ARG MLY VAL LEU ARG ASP TYR C:17;
Valid;
none;
submit data
1187.42 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AU7 2.07 Å EC: 2.1.1.43 THE STRUCTURE OF THE SUV4-20H2 TERNARY COMPLEX WITH HISTONE MUS MUSCULUS TRANSFERASE EPIGENETICS
Ref.: A NOVEL ROUTE TO PRODUCT SPECIFICITY IN THE SUV4-20 OF HISTONE H4K20 METHYLTRANSFERASES. NUCLEIC ACIDS RES. V. 42 661 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 4AU7 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 4AU7 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5CPR Kd = 27.8 nM 539 C18 H16 Cl2 N4 c1cnccc1c2....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 4AU7 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4BUP Kd = 11.2 uM SAM C15 H22 N6 O5 S C[S@@+](CC....
3 5CPR Kd = 27.8 nM 539 C18 H16 Cl2 N4 c1cnccc1c2....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAH; Similar ligands found: 211
No: Ligand ECFP6 Tc MDL keys Tc
1 SAH 1 1
2 5X8 0.759494 0.969697
3 A7D 0.734177 0.926471
4 TT8 0.709302 0.970588
5 DSH 0.692308 0.914286
6 SXZ 0.692308 0.916667
7 DTA 0.666667 0.857143
8 3DH 0.662338 0.869565
9 S8M 0.655556 0.901408
10 SFG 0.635294 0.954545
11 SA8 0.62069 0.915493
12 EEM 0.617977 0.890411
13 MTA 0.615385 0.869565
14 SAI 0.613636 0.955882
15 S7M 0.586957 0.916667
16 36A 0.586538 0.90411
17 K15 0.583333 0.878378
18 ADN 0.573333 0.84058
19 RAB 0.573333 0.84058
20 XYA 0.573333 0.84058
21 62X 0.572917 0.855263
22 5CD 0.571429 0.852941
23 0UM 0.5625 0.876712
24 5N5 0.558442 0.84058
25 A4D 0.551282 0.867647
26 SAM 0.537634 0.916667
27 SMM 0.536842 0.88
28 SSA 0.536842 0.712644
29 KB1 0.534653 0.902778
30 A5D 0.532609 0.857143
31 SIB 0.53125 0.928571
32 EP4 0.530864 0.819444
33 DSZ 0.530612 0.732558
34 GSU 0.53 0.752941
35 A 0.529412 0.763158
36 LMS 0.529412 0.694118
37 AMP 0.529412 0.763158
38 5CA 0.525773 0.712644
39 ME8 0.524752 0.8125
40 M2T 0.52439 0.821918
41 6RE 0.523256 0.824324
42 GJV 0.522727 0.813333
43 AAT 0.515789 0.863014
44 LSS 0.515152 0.696629
45 KAA 0.514852 0.727273
46 J7C 0.511364 0.835616
47 A5A 0.510417 0.697674
48 SON 0.505495 0.805195
49 SRP 0.505155 0.805195
50 F0P 0.504505 0.915493
51 54H 0.5 0.681818
52 VMS 0.5 0.681818
53 ADX 0.5 0.694118
54 CA0 0.5 0.769231
55 AMO 0.5 0.805195
56 5AL 0.5 0.779221
57 KH3 0.5 0.866667
58 NVA LMS 0.49505 0.707865
59 AHX 0.49505 0.753086
60 TSB 0.494949 0.689655
61 53H 0.494949 0.674157
62 G5A 0.494737 0.712644
63 ABM 0.494382 0.74359
64 A2D 0.494382 0.74359
65 ZAS 0.494253 0.808219
66 A6D 0.490196 0.759494
67 8QN 0.49 0.779221
68 GEK 0.49 0.956522
69 GAP 0.489583 0.769231
70 AN2 0.48913 0.734177
71 A3S 0.48913 0.884058
72 S4M 0.488889 0.831169
73 SRA 0.488636 0.746835
74 LAD 0.485437 0.810127
75 52H 0.484848 0.674157
76 A12 0.483516 0.759494
77 BA3 0.483516 0.74359
78 AP2 0.483516 0.759494
79 NEC 0.483146 0.788732
80 AOC 0.483146 0.842857
81 Y3J 0.481481 0.768116
82 VRT 0.479167 0.861111
83 50T 0.478723 0.734177
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 5AS 0.478261 0.655556
87 AP5 0.478261 0.74359
88 A3N 0.477778 0.830986
89 YSA 0.476636 0.712644
90 XAH 0.476636 0.768293
91 0XU 0.473684 0.897059
92 AT4 0.473118 0.7375
93 WAQ 0.471154 0.807692
94 NSS 0.470588 0.712644
95 5AD 0.468354 0.791045
96 AU1 0.468085 0.725
97 M33 0.468085 0.734177
98 MAO 0.467391 0.797468
99 TXA 0.466667 0.759494
100 NB8 0.466667 0.775
101 A3G 0.466667 0.871429
102 3AM 0.465909 0.727273
103 DAL AMP 0.465347 0.779221
104 8X1 0.465347 0.707865
105 A3T 0.463158 0.842857
106 ATP 0.463158 0.74359
107 HEJ 0.463158 0.74359
108 ACP 0.463158 0.746835
109 7D7 0.4625 0.785714
110 LEU LMS 0.461538 0.688889
111 9ZA 0.460784 0.740741
112 9ZD 0.460784 0.740741
113 5FA 0.458333 0.74359
114 AQP 0.458333 0.74359
115 AR6 0.458333 0.766234
116 APC 0.458333 0.759494
117 APR 0.458333 0.766234
118 PRX 0.458333 0.746835
119 F2R 0.457627 0.75
120 IOT 0.456897 0.761905
121 4AD 0.456311 0.794872
122 PAJ 0.456311 0.722892
123 WSA 0.45614 0.72093
124 YAP 0.453704 0.794872
125 8PZ 0.453704 0.712644
126 FA5 0.453704 0.805195
127 ADP PO3 0.453608 0.763158
128 ADV 0.453608 0.782051
129 NVA 2AD 0.453608 0.849315
130 SAP 0.453608 0.728395
131 AGS 0.453608 0.728395
132 RBY 0.453608 0.782051
133 AD9 0.453608 0.725
134 PTJ 0.45283 0.731707
135 MHZ 0.452632 0.797468
136 00A 0.451923 0.740741
137 A3P 0.451613 0.74026
138 YLP 0.451327 0.771084
139 7MD 0.45045 0.768293
140 ALF ADP 0.45 0.707317
141 ADP ALF 0.45 0.707317
142 2VA 0.447917 0.819444
143 OOB 0.446602 0.779221
144 ANP 0.444444 0.725
145 T99 0.444444 0.7375
146 ACQ 0.444444 0.746835
147 TAT 0.444444 0.7375
148 P5A 0.443396 0.719101
149 7D5 0.443182 0.708861
150 A1R 0.442308 0.7625
151 YLC 0.439655 0.790123
152 2AM 0.438202 0.717949
153 DLL 0.438095 0.779221
154 ARG AMP 0.4375 0.759036
155 A22 0.436893 0.734177
156 D3Y 0.436893 0.859155
157 ATF 0.435644 0.716049
158 MYR AMP 0.435185 0.746988
159 80F 0.434426 0.75
160 SO8 0.434343 0.808219
161 OAD 0.433962 0.769231
162 3UK 0.433962 0.769231
163 TAD 0.433628 0.765432
164 25A 0.432692 0.74359
165 6YZ 0.431373 0.746835
166 VO4 ADP 0.431373 0.734177
167 ADP VO4 0.431373 0.734177
168 9SN 0.431193 0.731707
169 TYM 0.431034 0.805195
170 B5V 0.429907 0.759494
171 PR8 0.429907 0.8
172 ADQ 0.428571 0.746835
173 YLB 0.42735 0.771084
174 9K8 0.425926 0.67033
175 1ZZ 0.425926 0.746988
176 FYA 0.425926 0.779221
177 3OD 0.425926 0.769231
178 PPS 0.425743 0.674419
179 MAP 0.423077 0.707317
180 A2P 0.421053 0.727273
181 4YB 0.421053 0.735632
182 9X8 0.420561 0.75
183 ADP BMA 0.420561 0.746835
184 TYR AMP 0.419643 0.794872
185 5SV 0.419048 0.731707
186 3NZ 0.416667 0.824324
187 YLA 0.416667 0.771084
188 8Q2 0.415254 0.688889
189 A3R 0.415094 0.7625
190 B5Y 0.414414 0.75
191 B5M 0.414414 0.75
192 48N 0.413793 0.753086
193 LPA AMP 0.413793 0.768293
194 AYB 0.413223 0.761905
195 ACK 0.413043 0.710526
196 QQY 0.413043 0.696203
197 BIS 0.412844 0.719512
198 JB6 0.412844 0.7625
199 PAP 0.41 0.730769
200 DQV 0.408696 0.75641
201 OVE 0.408602 0.7125
202 AMP DBH 0.40708 0.746835
203 4UV 0.40708 0.75
204 3AD 0.406977 0.852941
205 AF3 ADP 3PG 0.40678 0.743902
206 OMR 0.40678 0.738095
207 LAQ 0.405172 0.768293
208 A A 0.40367 0.74359
209 7C5 0.403509 0.789474
210 7MC 0.403361 0.75
211 4UU 0.4 0.75
Ligand no: 2; Ligand: ARG HIS ARG MLY VAL LEU ARG ASP TYR; Similar ligands found: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG HIS ARG MLY VAL LEU ARG ASP TYR 1 1
2 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.813953 0.902778
3 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.762238 0.944444
4 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.621622 0.863014
5 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.587838 0.859155
6 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.563291 0.837838
7 ALA ARG THR MLY GLN THR ALA ARG TYR 0.551724 0.876712
8 ALA LYS PHE ARG HIS ASP 0.531469 0.788732
9 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.519737 0.777778
10 ALA ARG THR GLU LEU TYR ARG SER LEU 0.516779 0.756757
11 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.51634 0.726027
12 TYR HIS SEP VAL VAL ARG TYR ALA 0.512658 0.7625
13 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.509202 0.783784
14 ALA ILE LEU HIS ARG LEU LEU GLN 0.506757 0.736111
15 GLU LEU LYS TPO GLU ARG TYR 0.503226 0.74359
16 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.5 0.746479
17 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.493827 0.72
18 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.493671 0.716216
19 SER GLU LEU GLU ILE LYS ARG TYR 0.490196 0.746667
20 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.487179 0.805556
21 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.483871 0.780822
22 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.481013 0.716216
23 GLU LEU ASN ARG LYS MET ILE TYR MET 0.475904 0.810811
24 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.475 0.753425
25 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.466216 0.777778
26 ALA THR VAL ARG THR TYR SER CYS 0.466216 0.706667
27 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.465839 0.794521
28 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.464968 0.816901
29 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.462428 0.789474
30 SER ASP TYR GLN ARG LEU 0.461538 0.760563
31 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.461039 0.689189
32 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.460123 0.723684
33 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.459893 0.88
34 ALA PRO ALA LEU ARG VAL VAL LYS 0.459259 0.647887
35 SER SER ARG LYS GLU TYR TYR ALA 0.458333 0.75
36 GLU LEU LYS ARG LYS MET ILE TYR MET 0.45679 0.794521
37 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.45509 0.791667
38 GLU LEU ARG ARG LYS MET MET TYR MET 0.454545 0.819444
39 SER ARG ASP HIS SER ARG THR PRO MET 0.454023 0.822785
40 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.452514 0.74026
41 ARG GLY TYR VAL TYR GLN GLY LEU 0.451613 0.739726
42 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.450617 0.763889
43 ALA ARG THR MLY GLN 0.449275 0.780822
44 CYS THR GLU LEU LYS LEU SER ASP TYR 0.448718 0.666667
45 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.447853 0.788732
46 ARG TYR GLY PHE VAL ALA ASN PHE 0.446541 0.743243
47 ALA ARG SER HIS SEP TYR PRO ALA 0.445714 0.75
48 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.445161 0.780822
49 LEU GLU LYS ALA ARG GLY SER THR TYR 0.443787 0.76
50 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.443787 0.763158
51 TYR LEU ASP SEP GLY ILE HIS SER GLY ALA 0.443787 0.719512
52 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.44375 0.736111
53 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.441718 0.756757
54 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.440994 0.794521
55 SER HIS LYS ILE ASP ASN LEU ASP 0.440252 0.72
56 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.43871 0.736842
57 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.438596 0.813333
58 PCA PHE ARG HIS ASP SER 0.436709 0.763889
59 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.43662 0.676056
60 GLY GLY LYS LYS LYS TYR ARG LEU 0.436242 0.763889
61 GLY GLY LYS LYS ARG TYR LYS LEU 0.436242 0.763889
62 GLY GLY ARG LYS LYS TYR LYS LEU 0.436242 0.763889
63 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.436242 0.777778
64 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.436047 0.782051
65 ALA ARG LYS ILE ASP ASN LEU ASP 0.434211 0.69863
66 DHI PRO PHE HIS LEU LEU VAL TYR 0.431034 0.763158
67 VAL VAL SER HIS PHE ASN ASP 0.430464 0.689189
68 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.430303 0.783784
69 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.430233 0.789474
70 PHQ LEU VAL ARG TYR 0.427632 0.72
71 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.426966 0.8
72 SER LEU ARG PHE LEU TYR GLU GLY 0.426752 0.723684
73 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.426136 0.805195
74 PHE ARG TYR LEU GLY 0.425676 0.739726
75 PHE ASN GLU LEU SER HIS LEU 0.425532 0.675676
76 ALA ARG LYS LEU ASP 0.425373 0.676056
77 THR SER ARG HIS LYS ALY LEU MET ALA 0.42515 0.84
78 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.424419 0.782051
79 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.423611 0.780822
80 ALA ARG THR MLY GLN THR ALA 0.423611 0.780822
81 PTR LEU ARG VAL ALA 0.422819 0.688312
82 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.422619 0.712329
83 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.421965 0.76
84 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.421384 0.753425
85 ACE ALA ARG THR GLU VAL TYR NH2 0.421053 0.726027
86 ARG GLY TYR LEU TYR GLN GLY LEU 0.419355 0.739726
87 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.419162 0.763889
88 PHE TYR ARG ALA LEU MET 0.417722 0.767123
89 ASP SEP TYR GLU VAL LEU ASP LEU 0.417178 0.607595
90 GLU LYS VAL HIS VAL GLN 0.416107 0.704225
91 GLY ALA ARG ALA HIS SER SER 0.416107 0.77027
92 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.414013 0.689189
93 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.412903 0.753425
94 GLU LEU ASP LYS TYR ALA SER 0.411765 0.684932
95 VAL GLU GLU ASP HIS VAL ALA HIS ALA 0.411765 0.676056
96 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.411348 0.676056
97 ARG LEU TYR HIS SEP LEU PRO ALA 0.411111 0.783133
98 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.409836 0.84
99 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.408602 0.833333
100 ALA SER ASN GLU HIS MET GLU THR MET 0.407643 0.733333
101 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.406897 0.611111
102 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.406061 0.743243
103 ARG HIS LYS ALY LEU MET PHE LYS 0.405882 0.819444
104 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.405594 0.767123
105 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.404494 0.805195
106 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.403727 0.797297
107 VAL PRO LEU ARG PRO MET THR TYR 0.402299 0.846154
108 ALA ARG THR MLY GLN THR ALA ARG LYS 0.401361 0.767123
109 ASP ALA GLU PHE ARG HIS ASP SER 0.401235 0.774648
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AU7; Ligand: SAH; Similar sites found with APoc: 26
This union binding pocket(no: 1) in the query (biounit: 4au7.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 6FHQ DE5 None
2 1UP7 G6P 2.42915
3 3ALT MLB 2.54777
4 6BMN PAP 2.83401
5 3CQO FUC 2.83401
6 4ZCC FAD 3.64372
7 2IMP LAC 4.04858
8 5NCB JZ3 4.04858
9 2H21 SAM 4.45344
10 3ZOK GLY 4.45344
11 4M6T SAM 5.46448
12 1OIJ AKG 5.66802
13 5AVF TAU 6.07287
14 1TL2 NDG 7.62712
15 4XQC NAD 8.50202
16 4XQC 13D 8.50202
17 3QXY SAM 8.90688
18 3N71 SFG 9.31174
19 5CZY SAM 9.7166
20 2Y69 CHD 13.5135
21 5Z84 CHD 14.8936
22 5ZCO CHD 14.8936
23 3BIB PSF 17.2414
24 5T0K SAM 19.4332
25 5JIY SAM 19.4332
26 3KMT SAH 36.9748
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