Receptor
PDB id Resolution Class Description Source Keywords
2bqz 1.5 Å EC: 2.1.1.43 CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF THE HUMAN HISTONE METHYLTRANSFERASE PR-SET7 (ALSO KNOWN AS SET8) HOMO SAPIENS HISTONE H4 METHYLTRANSFERSAE LYSINE METHYLTRANSFERASE SET DOMAIN TRANSFERASE
Ref.: SPECIFICITY AND MECHANISM OF THE HISTONE METHYLTRANSFERASE PR-SET7 GENES DEV. V. 19 1444 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR B:17;
F:17;
 Valid;
Valid;
 none;
none;
 Kd = 20 uM
1373.61 n/a O=C([...
SAH A:1354;
E:1354;
 Valid;
Valid;
 none;
none;
 submit data
384.411 C14 H20 N6 O5 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3F9W 1.6 Å EC: 2.1.1.43 STRUCTURAL INSIGHTS INTO LYSINE MULTIPLE METHYLATION BY SET METHYLTRANSFERASES, SET8-Y334F / H4-LYS20 / ADOHCY HOMO SAPIENS METHYLTRANSFERASE HISTONE SET LYSINE ALTERNATIVE SPLICINCYCLE CELL DIVISION CHROMATIN REGULATOR CHROMOSOMAL PROTCOILED COIL MITOSIS NUCLEUS REPRESSOR S-ADENOSYL-L-METHTRANSCRIPTION TRANSCRIPTION REGULATION ACETYLATION DNA-BMETHYLATION NUCLEOSOME CORE TRANSFERASE
Ref.: STRUCTURAL ORIGINS FOR THE PRODUCT SPECIFICITY OF S PROTEIN METHYLTRANSFERASES. PROC.NATL.ACAD.SCI.USA V. 105 20659 2008
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 37 families.
1 3F9W Kd = 19 uM ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP n/a n/a
2 3F9Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 2BQZ Kd = 20 uM ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR n/a n/a
4 3F9X - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 1ZKK Kd = 33 uM ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP n/a n/a
6 3F9Y Kd = 32 uM ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 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 26 families.
1 3F9W Kd = 19 uM ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP n/a n/a
2 3F9Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 2BQZ Kd = 20 uM ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR n/a n/a
4 3F9X - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 1ZKK Kd = 33 uM ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP n/a n/a
6 3F9Y Kd = 32 uM ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 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 21 families.
1 3F9W Kd = 19 uM ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP n/a n/a
2 3F9Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 2BQZ Kd = 20 uM ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR n/a n/a
4 3F9X - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 1ZKK Kd = 33 uM ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP n/a n/a
6 3F9Y Kd = 32 uM ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR; Similar ligands found: 126
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 1 1
2 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.762238 0.944444
3 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.687075 0.914286
4 ARG ARG GLU VAL HIS THR TYR TYR 0.666667 0.887324
5 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.646259 0.875
6 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.568627 0.771429
7 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.567901 0.887324
8 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.551948 0.8
9 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.536145 0.887324
10 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.532051 0.736111
11 ARG TYR GLY PHE VAL ALA ASN PHE 0.525641 0.788732
12 GLU LEU ASN ARG LYS MET ILE TYR MET 0.524096 0.859155
13 PHE GLU ASP LEU ARG VAL SER SER PHE 0.522293 0.736111
14 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.520958 0.805556
15 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.518519 0.814286
16 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.515924 0.84058
17 TYR HIS SEP VAL VAL ARG TYR ALA 0.515337 0.759494
18 ASP ARG VAL TYR ILE HIS PRO PHE 0.5125 0.885714
19 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.509677 0.763889
20 GLU LEU LYS TPO GLU ARG TYR 0.50625 0.74026
21 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.506173 0.760563
22 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.5 0.828571
23 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.497006 0.763889
24 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.496855 0.802817
25 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.487179 0.802817
26 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.484663 0.760563
27 SER GLU LEU GLU ILE LYS ARG TYR 0.484277 0.791667
28 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.484076 0.732394
29 ARG GLY TYR VAL TYR GLN GLY LEU 0.484076 0.760563
30 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.481481 0.828571
31 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.481481 0.816901
32 SER HIS LYS ILE ASP ASN LEU ASP 0.48125 0.763889
33 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.480263 0.826087
34 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.475309 0.757143
35 ALA LYS PHE ARG HIS ASP 0.474026 0.811594
36 ALA ILE LEU HIS ARG LEU LEU GLN 0.471338 0.757143
37 GLU LEU LYS ARG LYS MET ILE TYR MET 0.46988 0.816901
38 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.46988 0.805556
39 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.46988 0.774648
40 GLU LEU ARG ARG LYS MET MET TYR MET 0.468354 0.842857
41 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.468208 0.74026
42 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.467949 0.736111
43 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.466292 0.74026
44 ALA ARG THR GLU LEU TYR ARG SER LEU 0.4625 0.802817
45 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.461078 0.816901
46 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.460606 0.736111
47 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.459302 0.814286
48 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.457143 0.75641
49 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.456522 0.783784
50 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.455696 0.732394
51 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.45509 0.805556
52 HIS MET THR GLU VAL VAL ARG HIS CYS 0.452941 0.901408
53 ARG GLY TYR LEU TYR GLN GLY LEU 0.452229 0.760563
54 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.451429 0.805556
55 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.451219 0.685714
56 GLU LYS VAL HIS VAL GLN 0.450331 0.724638
57 SER ARG ASP HIS SER ARG THR PRO MET 0.45 0.797468
58 TYR LEU ASP SEP GLY ILE HIS SER GLY ALA 0.448276 0.7375
59 ARG LEU TYR HIS SEP LEU PRO ALA 0.447514 0.738095
60 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.446927 0.851351
61 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.445652 0.863014
62 VAL VAL SER HIS PHE ASN ASP 0.445161 0.732394
63 ARG HIS LYS ALY LEU MET PHE LYS 0.444444 0.842857
64 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.440252 0.690141
65 LEU GLU LYS ALA ARG GLY SER THR TYR 0.44 0.805556
66 SER HIS PHE ASN GLU TYR GLU 0.439024 0.75
67 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.438596 0.767123
68 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.438272 0.680556
69 SER ASP TYR GLN ARG LEU 0.436242 0.782609
70 CYS THR GLU LEU LYS LEU SER ASP TYR 0.435583 0.708333
71 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.435583 0.84507
72 ARG SER MLZ SER ASP GLY 0.435374 0.736111
73 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.435028 0.861111
74 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.434783 0.780822
75 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.432432 0.763158
76 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.431694 0.75
77 ALA ARG LYS ILE ASP ASN LEU ASP 0.43038 0.742857
78 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.429448 0.768116
79 SER ARG LYS ILE ASP ASN LEU ASP 0.428571 0.736111
80 DHI PRO PHE HIS LEU LEU VAL TYR 0.427778 0.714286
81 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.427632 0.728571
82 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.426901 0.811594
83 GLU LEU ASP LYS TYR ALA SER 0.426752 0.704225
84 HIS MET THR GLU VAL VAL ARG ARG CYS 0.426035 0.887324
85 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.425806 0.826087
86 SER LEU ARG PHE LEU TYR GLU GLY 0.423313 0.767123
87 PHE TYR ARG ALA LEU MET 0.423313 0.788732
88 PHE ARG TYR LEU GLY 0.422078 0.760563
89 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.41954 0.732394
90 PTR LEU ARG VAL ALA 0.419355 0.684211
91 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.41875 0.8
92 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.418478 0.833333
93 GLU ASN LEU TYR PHE GLN 0.418301 0.685714
94 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.418182 0.774648
95 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.41573 0.714286
96 PHQ LEU VAL ARG TYR 0.415094 0.739726
97 ASP SEP TYR GLU VAL LEU ASP LEU 0.414201 0.602564
98 GLU LEU ASP HIS TRP ALA SER 0.414201 0.736111
99 GLY GLY ARG LYS LYS TYR LYS LEU 0.414013 0.785714
100 GLY GLY LYS LYS LYS TYR ARG LEU 0.414013 0.785714
101 GLY GLY LYS LYS ARG TYR LYS LEU 0.414013 0.785714
102 ARG ARG ARG VAL ARG 00S 0.413793 0.647887
103 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.413333 0.695652
104 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.412791 0.777778
105 SER LEU TYR ASN VAL VAL ALA THR LEU 0.4125 0.661972
106 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.412371 0.792208
107 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.41206 0.776471
108 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.411765 0.871795
109 HIS VAL ALA VAL GLU ASN ALA LEU 0.411392 0.695652
110 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.411043 0.746479
111 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.408046 0.785714
112 PCA PHE ARG HIS ASP SER 0.407186 0.785714
113 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.406417 0.857143
114 SER LEU TYR ASN THR VAL ALA THR LEU 0.40625 0.661972
115 HIS LEU TYR PHE SER SEP ASN 0.405882 0.721519
116 THR SER ARG HIS LYS ALY LEU MET ALA 0.405714 0.888889
117 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.404878 0.8
118 ASP ARG VAL TYR 0.404255 0.628571
119 GLY ALA ARG ALA HIS SER SER 0.403846 0.816901
120 ALA ARG THR MLY GLN THR ALA ARG TYR 0.403614 0.849315
121 ALA ARG SER HIS SEP TYR PRO ALA 0.403226 0.72619
122 ARG GLY TYR VAL TYR ESC GLY LEU GAL GLA 0.403061 0.759494
123 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.402439 0.680556
124 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.40107 0.797468
125 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.4 0.74359
126 VAL GLU GLU ASP HIS VAL ALA HIS ALA 0.4 0.695652
Ligand no: 2; Ligand: SAH; Similar ligands found: 256
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 U4Y 0.64 0.956522
11 SFG 0.635294 0.954545
12 SA8 0.62069 0.915493
13 EEM 0.617977 0.890411
14 MTA 0.615385 0.869565
15 SAI 0.613636 0.955882
16 S7M 0.586957 0.916667
17 36A 0.586538 0.90411
18 K15 0.583333 0.878378
19 ADN 0.573333 0.84058
20 RAB 0.573333 0.84058
21 XYA 0.573333 0.84058
22 62X 0.572917 0.855263
23 5CD 0.571429 0.852941
24 0UM 0.5625 0.876712
25 5N5 0.558442 0.84058
26 A4D 0.551282 0.867647
27 KYE 0.54902 0.866667
28 SAM 0.537634 0.916667
29 SSA 0.536842 0.712644
30 SMM 0.536842 0.88
31 KB1 0.534653 0.902778
32 A5D 0.532609 0.857143
33 SIB 0.53125 0.928571
34 EP4 0.530864 0.819444
35 DSZ 0.530612 0.732558
36 GSU 0.53 0.752941
37 LMS 0.529412 0.694118
38 AMP 0.529412 0.763158
39 A 0.529412 0.763158
40 5CA 0.525773 0.712644
41 ME8 0.524752 0.8125
42 M2T 0.52439 0.821918
43 6RE 0.523256 0.824324
44 GJV 0.522727 0.813333
45 OZP 0.518519 0.915493
46 AAT 0.515789 0.863014
47 LSS 0.515152 0.696629
48 KAA 0.514852 0.727273
49 KXW 0.514019 0.915493
50 NWW 0.5125 0.80597
51 J7C 0.511364 0.835616
52 KG4 0.51087 0.769231
53 A5A 0.510417 0.697674
54 AMP MG 0.505747 0.773333
55 SON 0.505495 0.805195
56 SRP 0.505155 0.805195
57 F0P 0.504505 0.915493
58 KH3 0.5 0.866667
59 HY8 0.5 0.890411
60 CA0 0.5 0.769231
61 AMO 0.5 0.805195
62 54H 0.5 0.681818
63 ADX 0.5 0.694118
64 5AL 0.5 0.779221
65 VMS 0.5 0.681818
66 N37 0.495495 0.9
67 HZ2 0.495413 0.890411
68 NVA LMS 0.49505 0.707865
69 AHX 0.49505 0.753086
70 TSB 0.494949 0.689655
71 53H 0.494949 0.674157
72 G5A 0.494737 0.712644
73 45A 0.494382 0.74359
74 ABM 0.494382 0.74359
75 A2D 0.494382 0.74359
76 ZAS 0.494253 0.808219
77 A6D 0.490196 0.759494
78 GEK 0.49 0.956522
79 8QN 0.49 0.779221
80 GAP 0.489583 0.769231
81 A3S 0.48913 0.884058
82 AN2 0.48913 0.734177
83 S4M 0.488889 0.831169
84 SRA 0.488636 0.746835
85 EU9 0.486486 0.825
86 LAD 0.485437 0.810127
87 52H 0.484848 0.674157
88 V2G 0.484536 0.753086
89 BA3 0.483516 0.74359
90 AP2 0.483516 0.759494
91 A12 0.483516 0.759494
92 AOC 0.483146 0.842857
93 NEC 0.483146 0.788732
94 Y3J 0.481481 0.768116
95 VRT 0.479167 0.861111
96 50T 0.478723 0.734177
97 AP5 0.478261 0.74359
98 ADP 0.478261 0.74359
99 5AS 0.478261 0.655556
100 B4P 0.478261 0.74359
101 Q34 0.477876 0.866667
102 Q2M 0.477876 0.916667
103 A3N 0.477778 0.830986
104 YSA 0.476636 0.712644
105 XAH 0.476636 0.768293
106 8LH 0.474747 0.759494
107 V47 0.474747 0.882353
108 0XU 0.473684 0.897059
109 AT4 0.473118 0.7375
110 ADP MG 0.473118 0.763158
111 ADP BEF 0.473118 0.763158
112 J4G 0.471154 0.818182
113 WAQ 0.471154 0.807692
114 NSS 0.470588 0.712644
115 8LE 0.469388 0.75
116 5AD 0.468354 0.791045
117 AU1 0.468085 0.725
118 M33 0.468085 0.734177
119 MAO 0.467391 0.797468
120 NB8 0.466667 0.775
121 A3G 0.466667 0.871429
122 N5O 0.466667 0.857143
123 TXA 0.466667 0.759494
124 3AM 0.465909 0.727273
125 Q2V 0.465517 0.902778
126 QA7 0.465347 0.75
127 8X1 0.465347 0.707865
128 DAL AMP 0.465347 0.779221
129 8LQ 0.465347 0.782051
130 A3T 0.463158 0.842857
131 ATP 0.463158 0.74359
132 ACP 0.463158 0.746835
133 HEJ 0.463158 0.74359
134 7D7 0.4625 0.785714
135 QXP 0.460784 0.697674
136 9ZA 0.460784 0.740741
137 9ZD 0.460784 0.740741
138 APR 0.458333 0.766234
139 5FA 0.458333 0.74359
140 PRX 0.458333 0.746835
141 APC 0.458333 0.759494
142 AQP 0.458333 0.74359
143 AR6 0.458333 0.766234
144 F2R 0.457627 0.75
145 R2V 0.457143 0.697674
146 IOT 0.456897 0.761905
147 N5A 0.456522 0.855072
148 PAJ 0.456311 0.722892
149 4AD 0.456311 0.794872
150 WSA 0.45614 0.72093
151 HQG 0.455446 0.75641
152 NWQ 0.454545 0.782609
153 Q2P 0.453782 0.866667
154 8PZ 0.453704 0.712644
155 FA5 0.453704 0.805195
156 AGS 0.453608 0.728395
157 APC MG 0.453608 0.766234
158 RBY 0.453608 0.782051
159 ATP MG 0.453608 0.763158
160 AD9 0.453608 0.725
161 ADV 0.453608 0.782051
162 NVA 2AD 0.453608 0.849315
163 ADP PO3 0.453608 0.763158
164 PTJ 0.45283 0.731707
165 MHZ 0.452632 0.797468
166 00A 0.451923 0.740741
167 A3P 0.451613 0.74026
168 YLP 0.451327 0.771084
169 7MD 0.45045 0.768293
170 ALF ADP 0.45 0.707317
171 BEF ADP 0.44898 0.74359
172 2VA 0.447917 0.819444
173 H1Q 0.447917 0.753247
174 LEU LMS 0.447619 0.724138
175 QXG 0.447619 0.689655
176 OOB 0.446602 0.779221
177 ACQ 0.444444 0.746835
178 T99 0.444444 0.7375
179 TAT 0.444444 0.7375
180 ANP 0.444444 0.725
181 P5A 0.443396 0.719101
182 7D5 0.443182 0.708861
183 A1R 0.442308 0.7625
184 YLC 0.439655 0.790123
185 2AM 0.438202 0.717949
186 DLL 0.438095 0.779221
187 ARG AMP 0.4375 0.759036
188 KY2 0.436893 0.84
189 D3Y 0.436893 0.859155
190 A22 0.436893 0.734177
191 ANP MG 0.435644 0.734177
192 VO4 ADP 0.435644 0.725
193 ATF 0.435644 0.716049
194 MYR AMP 0.435185 0.746988
195 80F 0.434426 0.75
196 SO8 0.434343 0.808219
197 OAD 0.433962 0.769231
198 3UK 0.433962 0.769231
199 TAD 0.433628 0.765432
200 25A 0.432692 0.74359
201 6YZ 0.431373 0.746835
202 9SN 0.431193 0.731707
203 TYM 0.431034 0.805195
204 PR8 0.429907 0.8
205 B5V 0.429907 0.759494
206 KYB 0.428571 0.84
207 ADQ 0.428571 0.746835
208 YLB 0.42735 0.771084
209 1ZZ 0.425926 0.746988
210 9K8 0.425926 0.67033
211 3OD 0.425926 0.769231
212 FYA 0.425926 0.779221
213 PPS 0.425743 0.674419
214 JNT 0.424528 0.746835
215 B1U 0.423423 0.638298
216 MAP 0.423077 0.707317
217 4YB 0.421053 0.735632
218 A2P 0.421053 0.727273
219 9X8 0.420561 0.75
220 ADP BMA 0.420561 0.746835
221 OZV 0.419048 0.74359
222 5SV 0.419048 0.731707
223 YLA 0.416667 0.771084
224 3NZ 0.416667 0.824324
225 NX8 0.415842 0.875
226 KL2 0.41573 0.692308
227 8Q2 0.415254 0.688889
228 A3R 0.415094 0.7625
229 B5M 0.414414 0.75
230 B5Y 0.414414 0.75
231 LPA AMP 0.413793 0.768293
232 48N 0.413793 0.753086
233 AYB 0.413223 0.761905
234 ACK 0.413043 0.710526
235 QQY 0.413043 0.696203
236 JB6 0.412844 0.7625
237 BIS 0.412844 0.719512
238 K2H 0.411215 0.797297
239 PAP 0.41 0.730769
240 KY5 0.409091 0.887324
241 DQV 0.408696 0.75641
242 OVE 0.408602 0.7125
243 4UV 0.40708 0.75
244 AMP DBH 0.40708 0.746835
245 3AD 0.406977 0.852941
246 OMR 0.40678 0.738095
247 AF3 ADP 3PG 0.40678 0.743902
248 K38 0.405405 0.797297
249 LAQ 0.405172 0.768293
250 K2K 0.40367 0.875
251 7C5 0.403509 0.789474
252 7MC 0.403361 0.75
253 K3K 0.401786 0.797297
254 KOY 0.401709 0.847222
255 NWZ 0.4 0.861111
256 4UU 0.4 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: SAH; Similar ligands found: 15
No: Ligand Similarity coefficient
1 HCE 0.9148
2 GMD 0.9105
3 IDP 0.8930
4 GDP 0.8927
5 2EL 0.8907
6 GDP MG 0.8895
7 CUU 0.8893
8 BIG 0.8840
9 M7G 0.8830
10 DAT 0.8738
11 UC5 0.8671
12 4CT 0.8669
13 DTP 0.8653
14 GNH 0.8616
15 OS3 0.8593
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3F9W; Ligand: SAH; 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: 3f9w.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3F9W; Ligand: SAH; 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: 3f9w.bio4) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3F9W; Ligand: SAH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3f9w.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3F9W; Ligand: SAH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3f9w.bio3) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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