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 DOMAIN METHYLTRANSFERASES, SET8-Y334F / H4-LYS20 / ADOHCY HOMO SAPIENS METHYLTRANSFERASE HISTONE SET LYSINE ALTERNATIVE SPLICING CELL CYCLE CELL DIVISION CHROMATIN REGULATOR CHROMOSOMAL PROTEIN COILED COIL MITOSIS NUCLEUS REPRESSOR S-ADENOSYL-L-METHIONINE TRANSCRIPTION TRANSCRIPTION REGULATION ACETYLATION DNA-BINDING METHYLATION NUCLEOSOME CORE
Ref.: STRUCTURAL ORIGINS FOR THE PRODUCT SPECIFICITY OF SET DOMAIN 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 36 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 22 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
Ligand no: 1; Ligand: ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR; Similar ligands found: 128
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 0.757143 0.944444
3 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.682759 0.914286
4 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.631944 0.875
5 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.590278 0.84058
6 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.576389 0.84058
7 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.572414 0.861111
8 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.563758 0.771429
9 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.543046 0.8
10 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.534162 0.805556
11 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.530864 0.887324
12 TYR HIS SEP VAL VAL ARG TYR ALA 0.528302 0.759494
13 ARG TYR GLY PHE VAL ALA ASN PHE 0.51634 0.788732
14 GLU LEU ASN ARG LYS MET ILE TYR MET 0.515528 0.859155
15 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.5 0.732394
16 GLU LEU LYS TPO GLU ARG TYR 0.5 0.74026
17 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.5 0.828571
18 SER HIS LYS ILE ASP ASN LEU ASP 0.496774 0.763889
19 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.493671 0.760563
20 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.490196 0.816901
21 SER ASP TYR GLN ARG LEU 0.489362 0.782609
22 SER GLU LEU GLU ILE LYS ARG TYR 0.487013 0.791667
23 ASP ARG VAL TYR ILE HIS PRO PHE 0.486034 0.807692
24 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.483871 0.802817
25 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.483444 0.802817
26 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.481013 0.828571
27 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.478788 0.763889
28 ARG GLY TYR VAL TYR GLN GLY LEU 0.477124 0.760563
29 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.474684 0.757143
30 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.473988 0.727273
31 ALA LYS PHE ARG HIS ASP 0.472973 0.811594
32 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.47191 0.783784
33 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.470588 0.732394
34 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.470588 0.785714
35 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.46988 0.814286
36 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.46875 0.760563
37 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.466258 0.774648
38 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.465839 0.736111
39 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.462963 0.859155
40 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.462025 0.671429
41 GLU LEU ARG ARG LYS MET MET TYR MET 0.460526 0.842857
42 ASP ALA GLU PHE ARG HIS ASP 0.46 0.797101
43 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.459893 0.828947
44 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.45977 0.75641
45 GLU LEU LYS ARG LYS MET ILE TYR MET 0.459627 0.816901
46 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.459459 0.863014
47 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.458065 0.760563
48 VAL VAL SER HIS PHE ASN ASP 0.456954 0.732394
49 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.456647 0.74026
50 LYS ALA VAL TYR ASN LEU ALA THR MET 0.453416 0.760563
51 ALA ARG THR GLU LEU TYR ARG SER LEU 0.452229 0.802817
52 ARG HIS LYS ALY LEU MET PHE LYS 0.451807 0.842857
53 SER ARG ASP HIS SER ARG THR PRO MET 0.451429 0.797468
54 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.450292 0.805556
55 SER HIS PHE ASN GLU TYR GLU 0.45 0.75
56 CYS THR GLU LEU LYS LEU SER ASP TYR 0.449367 0.694444
57 ARG LEU TYR HIS SEP LEU PRO ALA 0.448864 0.738095
58 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.448485 0.816901
59 TYR LEU ASP SEP GLY ILE HIS SER GLY ALA 0.448276 0.725
60 GLU LYS VAL HIS VAL GLN 0.445205 0.710145
61 ARG GLY TYR LEU TYR GLN GLY LEU 0.444444 0.760563
62 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.440678 0.736842
63 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.437909 0.785714
64 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.4375 0.805556
65 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.437158 0.807692
66 GLU LEU ASP LYS TYR ALA SER 0.437086 0.690141
67 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.436709 0.690141
68 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.436242 0.826087
69 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.433735 0.811594
70 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.433333 0.863014
71 LEU GLU LYS ALA ARG GLY SER THR TYR 0.432749 0.805556
72 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.432258 0.84058
73 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.432099 0.680556
74 HIS VAL ALA VAL GLU ASN ALA LEU 0.431373 0.695652
75 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.43038 0.84507
76 SER ARG LYS ILE ASP ASN LEU ASP 0.429487 0.736111
77 SER LEU TYR ASN VAL VAL ALA THR LEU 0.428571 0.661972
78 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.428571 0.746479
79 DHI PRO PHE HIS LEU LEU VAL TYR 0.427778 0.701299
80 GLY GLY ARG LYS LYS TYR LYS LEU 0.426667 0.785714
81 GLY GLY LYS LYS ARG TYR LYS LEU 0.426667 0.785714
82 GLY GLY LYS LYS LYS TYR ARG LEU 0.426667 0.785714
83 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.426136 0.75641
84 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.425676 0.728571
85 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.425 0.780822
86 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.424658 0.681159
87 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.423729 0.833333
88 SER LEU TYR ASN THR VAL ALA THR LEU 0.422078 0.661972
89 PHE TYR ARG ALA LEU MET 0.421384 0.788732
90 GLU LEU ASP HIS TRP ALA SER 0.420732 0.722222
91 THR LYS ASN TYR LYS GLN THR SER VAL 0.420382 0.732394
92 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.418994 0.730769
93 ALA ARG SER HIS SEP TYR PRO ALA 0.416667 0.72619
94 ALA ARG THR MLY GLN THR ALA ARG TYR 0.416149 0.849315
95 ALA ARG LYS ILE ASP ASN LEU ASP 0.415584 0.742857
96 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.415385 0.776471
97 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.415205 0.736842
98 ASP GLU LEU GLU ILE LYS ALA TYR 0.415094 0.685714
99 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.414634 0.712329
100 PTR LEU ARG VAL ALA 0.414474 0.684211
101 PHE ARG TYR LEU GLY 0.414474 0.760563
102 THR SER ARG HIS LYS ALY LEU MET ALA 0.414201 0.888889
103 PCA PHE ARG HIS ASP SER 0.41358 0.785714
104 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.41358 0.774648
105 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.411765 0.785714
106 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.411765 0.792208
107 GLY ALA ARG ALA HIS SER SER 0.410596 0.816901
108 ARG GLY TYR VAL TYR ESC GLY LEU GAL GLA 0.410526 0.759494
109 ALA THR VAL ARG THR TYR SER CYS 0.410256 0.75
110 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.408284 0.763889
111 GLU ASN LEU TYR PHE GLN 0.406667 0.685714
112 ASP ALA GLU PHE ARG HIS ASP SER 0.404908 0.797101
113 LYS ALA LEU TYR ASN PHE ALA THR MET 0.404762 0.763889
114 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.404624 0.654762
115 ALA ARG LYS LEU ASP 0.404412 0.695652
116 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.404372 0.871795
117 TYR LEU ASP SER GLY ILE HIS SER GLY ALA 0.403614 0.780822
118 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.403509 0.732394
119 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.402985 0.8
120 SER SER ARG LYS GLU TYR TYR ALA 0.402685 0.771429
121 GLY ASN PHE LEU GLN SER ARG 0.402516 0.736111
122 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.402174 0.857143
123 MET ABA LEU ARG MET THR ALA VAL MET 0.401274 0.722222
124 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.401198 0.694444
125 ARG HIS LYS FDL 0.401198 0.772152
126 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.40107 0.753247
127 ACE ALA ARG THR GLU VAL TYR NH2 0.4 0.771429
128 ARG ARG LEU ILE PHE NH2 0.4 0.657143
Ligand no: 2; Ligand: SAH; Similar ligands found: 197
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 SXZ 0.692308 0.916667
6 DSH 0.692308 0.914286
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 RAB 0.573333 0.84058
19 ADN 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 SSA 0.536842 0.712644
28 SMM 0.536842 0.88
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 AMP 0.529412 0.763158
36 A 0.529412 0.763158
37 5CA 0.525773 0.712644
38 ME8 0.524752 0.8125
39 M2T 0.52439 0.821918
40 6RE 0.523256 0.824324
41 GJV 0.522727 0.813333
42 AAT 0.515789 0.863014
43 LSS 0.515152 0.696629
44 KAA 0.514852 0.727273
45 J7C 0.511364 0.835616
46 A5A 0.510417 0.697674
47 SON 0.505495 0.805195
48 SRP 0.505155 0.805195
49 5AL 0.5 0.779221
50 VMS 0.5 0.681818
51 KH3 0.5 0.866667
52 ADX 0.5 0.694118
53 CA0 0.5 0.769231
54 AMP MG 0.5 0.74359
55 AMO 0.5 0.805195
56 54H 0.5 0.681818
57 AHX 0.49505 0.753086
58 TSB 0.494949 0.689655
59 53H 0.494949 0.674157
60 G5A 0.494737 0.712644
61 A2D 0.494382 0.74359
62 ABM 0.494382 0.74359
63 ZAS 0.494253 0.808219
64 A6D 0.490196 0.759494
65 8QN 0.49 0.779221
66 GEK 0.49 0.956522
67 GAP 0.489583 0.769231
68 A3S 0.48913 0.884058
69 AN2 0.48913 0.734177
70 S4M 0.488889 0.831169
71 SRA 0.488636 0.746835
72 LAD 0.485437 0.810127
73 52H 0.484848 0.674157
74 A12 0.483516 0.759494
75 BA3 0.483516 0.74359
76 AP2 0.483516 0.759494
77 AOC 0.483146 0.842857
78 NEC 0.483146 0.788732
79 Y3J 0.481481 0.768116
80 NVA LMS 0.480392 0.696629
81 VRT 0.479167 0.861111
82 50T 0.478723 0.734177
83 5AS 0.478261 0.655556
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 AP5 0.478261 0.74359
87 A3N 0.477778 0.830986
88 YSA 0.476636 0.712644
89 XAH 0.476636 0.768293
90 0XU 0.473684 0.897059
91 WAQ 0.471154 0.807692
92 NSS 0.470588 0.712644
93 5AD 0.468354 0.791045
94 ADP MG 0.468085 0.734177
95 AU1 0.468085 0.725
96 M33 0.468085 0.734177
97 MAO 0.467391 0.797468
98 TXA 0.466667 0.759494
99 A3G 0.466667 0.871429
100 NB8 0.466667 0.775
101 3AM 0.465909 0.727273
102 DAL AMP 0.465347 0.779221
103 ATP 0.463158 0.74359
104 ADP BEF 0.463158 0.716049
105 A3T 0.463158 0.842857
106 BEF ADP 0.463158 0.716049
107 ACP 0.463158 0.746835
108 7D7 0.4625 0.785714
109 LEU LMS 0.461538 0.677778
110 APC 0.458333 0.759494
111 AQP 0.458333 0.74359
112 APR 0.458333 0.766234
113 PRX 0.458333 0.746835
114 AR6 0.458333 0.766234
115 5FA 0.458333 0.74359
116 IOT 0.456897 0.761905
117 4AD 0.456311 0.794872
118 PAJ 0.456311 0.722892
119 WSA 0.45614 0.72093
120 FA5 0.453704 0.805195
121 YAP 0.453704 0.794872
122 RBY 0.453608 0.782051
123 ADV 0.453608 0.782051
124 ADP PO3 0.453608 0.763158
125 AD9 0.453608 0.725
126 SAP 0.453608 0.728395
127 AGS 0.453608 0.728395
128 PTJ 0.45283 0.731707
129 MHZ 0.452632 0.797468
130 00A 0.451923 0.740741
131 A3P 0.451613 0.74026
132 YLP 0.451327 0.771084
133 7MD 0.45045 0.768293
134 ALF ADP 0.45 0.707317
135 ADP ALF 0.45 0.707317
136 ATP MG 0.44898 0.734177
137 2VA 0.447917 0.819444
138 OOB 0.446602 0.779221
139 ANP 0.444444 0.725
140 ACQ 0.444444 0.746835
141 TAT 0.444444 0.7375
142 P5A 0.443396 0.719101
143 7D5 0.443182 0.708861
144 ARG AMP 0.442478 0.759036
145 A1R 0.442308 0.7625
146 YLC 0.439655 0.790123
147 2AM 0.438202 0.717949
148 DLL 0.438095 0.779221
149 A22 0.436893 0.734177
150 D3Y 0.436893 0.859155
151 TYR AMP 0.436364 0.782051
152 ATF 0.435644 0.716049
153 MYR AMP 0.435185 0.746988
154 SO8 0.434343 0.808219
155 3UK 0.433962 0.769231
156 OAD 0.433962 0.769231
157 TAD 0.433628 0.765432
158 25A 0.432692 0.74359
159 ANP MG 0.431373 0.707317
160 VO4 ADP 0.431373 0.734177
161 ADP VO4 0.431373 0.734177
162 9SN 0.431193 0.731707
163 TYM 0.431034 0.805195
164 PR8 0.429907 0.8
165 ADQ 0.428571 0.746835
166 YLB 0.42735 0.771084
167 3OD 0.425926 0.769231
168 FYA 0.425926 0.779221
169 1ZZ 0.425926 0.746988
170 PPS 0.425743 0.674419
171 NVA 2AD 0.424242 0.808219
172 MAP 0.423077 0.707317
173 A2P 0.421053 0.727273
174 4YB 0.421053 0.735632
175 ADP BMA 0.420561 0.746835
176 5SV 0.419048 0.731707
177 3NZ 0.416667 0.824324
178 YLA 0.416667 0.771084
179 48N 0.413793 0.753086
180 LPA AMP 0.413793 0.768293
181 AYB 0.413223 0.761905
182 QQY 0.413043 0.696203
183 ACK 0.413043 0.710526
184 JB6 0.412844 0.7625
185 BIS 0.412844 0.719512
186 PAP 0.41 0.730769
187 OVE 0.408602 0.7125
188 4UV 0.40708 0.75
189 AMP DBH 0.40708 0.746835
190 3AD 0.406977 0.852941
191 AF3 ADP 3PG 0.40678 0.743902
192 OMR 0.40678 0.738095
193 LAQ 0.405172 0.768293
194 A A 0.40367 0.74359
195 7C5 0.403509 0.789474
196 7MC 0.403361 0.75
197 4UU 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3F9W; Ligand: SAH; Similar sites found: 14
This union binding pocket(no: 1) in the query (biounit: 3f9w.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CHT TSA 0.01815 0.41424 None
2 1PVS 7HP 0.03004 0.41929 3.61446
3 3QXY SAM 0.0001095 0.42712 8.43373
4 4CU1 H4B 0.006961 0.44141 9.03614
5 4GK9 MAN BMA MAN MAN MAN 0.04257 0.4003 9.63855
6 3N71 SFG 0.0000005544 0.48241 11.4458
7 1BHX ASP PHE GLU GLU ILE 0.01788 0.40621 13.3333
8 2H21 SAM 0.00002537 0.49385 16.2651
9 3KMT SAH 0.000008796 0.55415 20.1681
10 5CZY SAM 0.0001506 0.40789 30.1205
11 5M5G VAL MET LEU PRO GLY ARG GLY VAL PRO 0.00001938 0.52155 36.747
12 5M5G SAH 0.000002357 0.50677 36.747
13 5T0K SAM 0.000003045 0.49242 39.1566
14 5JIY SAM 0.000005868 0.47364 39.1566
Pocket No.: 2; Query (leader) PDB : 3F9W; Ligand: SAH; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3F9W; Ligand: SAH; Similar sites found: 11
This union binding pocket(no: 3) in the query (biounit: 3f9w.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Z4O GL1 0.008275 0.42562 2.40964
2 5EB4 FAD 0.04721 0.40696 3.61446
3 1PS9 FMN 0.02497 0.40136 3.61446
4 4D79 ATP 0.02075 0.40045 3.61446
5 1GSA ADP 0.02552 0.40087 4.21687
6 1SOX MTE 0.01666 0.40697 4.81928
7 2ODE ALF GDP 0.0342 0.40123 6.38298
8 3KOX Z98 0.01088 0.41622 8.43373
9 1XSE NDP 0.04581 0.40683 9.63855
10 1BH2 GSP 0.03379 0.40151 10.8434
11 1SVK ALF GDP 0.0343 0.40238 14.4578
Pocket No.: 4; Query (leader) PDB : 3F9W; Ligand: SAH; Similar sites found: 1
This union binding pocket(no: 4) in the query (biounit: 3f9w.bio3) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3QDW NDG 0.02153 0.40873 3.4965
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