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Receptor
PDB id Resolution Class Description Source Keywords
4M6T 2.5 Å EC: 7.-.-.- STRUCTURE OF HUMAN PAF1 AND LEO1 COMPLEX HOMO SAPIENS PAF1-LEO1 SUBCOMPLEX TRANSCRIPTION ELONGATOR TRANSCRIPTIONREGULATOR
Ref.: STRUCTURAL INSIGHTS INTO PAF1 COMPLEX ASSEMBLY AND BINDING NUCLEIC ACIDS RES. V. 41 10619 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAM A:201;
Valid;
none;
submit data
398.437 C15 H22 N6 O5 S C[S@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M6T 2.5 Å EC: 7.-.-.- STRUCTURE OF HUMAN PAF1 AND LEO1 COMPLEX HOMO SAPIENS PAF1-LEO1 SUBCOMPLEX TRANSCRIPTION ELONGATOR TRANSCRIPTIONREGULATOR
Ref.: STRUCTURAL INSIGHTS INTO PAF1 COMPLEX ASSEMBLY AND BINDING NUCLEIC ACIDS RES. V. 41 10619 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 4M6T - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4M6T - SAM C15 H22 N6 O5 S C[S@@+](CC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 4M6T - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAM; Similar ligands found: 202
No: Ligand ECFP6 Tc MDL keys Tc
1 SAM 1 1
2 SMM 0.792683 0.96
3 S4M 0.6875 0.909091
4 S7M 0.670455 0.945946
5 M2T 0.636364 0.878378
6 GEK 0.612903 0.931507
7 SAI 0.571429 0.878378
8 ADN 0.565789 0.773333
9 RAB 0.565789 0.773333
10 XYA 0.565789 0.773333
11 5CD 0.564103 0.783784
12 EP4 0.5625 0.826667
13 SA8 0.56044 0.945205
14 SFG 0.555556 0.875
15 5X8 0.555556 0.888889
16 5N5 0.551282 0.773333
17 A4D 0.544304 0.797297
18 EEM 0.542553 0.945946
19 SAH 0.537634 0.916667
20 DTA 0.536585 0.789474
21 62X 0.535354 0.884615
22 MTA 0.53012 0.875
23 3DH 0.517647 0.849315
24 5AL 0.510417 0.743902
25 54H 0.510204 0.673913
26 VMS 0.510204 0.673913
27 0UM 0.51 0.857143
28 AMP 0.505747 0.707317
29 LMS 0.505747 0.666667
30 A 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 SON 0.5 0.746988
34 SSA 0.5 0.684783
35 6RE 0.5 0.78481
36 K15 0.5 0.883117
37 5AD 0.5 0.75
38 SRP 0.5 0.746988
39 LSS 0.49505 0.706522
40 CA0 0.494624 0.714286
41 A12 0.494505 0.705882
42 AP2 0.494505 0.705882
43 ME8 0.490385 0.841463
44 TSB 0.49 0.681319
45 53H 0.49 0.666667
46 DAL AMP 0.49 0.765432
47 5CA 0.49 0.684783
48 ACP 0.489362 0.694118
49 ADP 0.48913 0.690476
50 5AS 0.48913 0.648936
51 J7C 0.488889 0.772152
52 A2D 0.488889 0.690476
53 ZAS 0.488636 0.769231
54 9ZD 0.485149 0.729412
55 9ZA 0.485149 0.729412
56 8QN 0.485149 0.743902
57 GAP 0.484536 0.73494
58 AN2 0.483871 0.682353
59 A3S 0.483871 0.813333
60 A7D 0.483871 0.851351
61 GJV 0.483516 0.775
62 SRA 0.483146 0.694118
63 LAD 0.480769 0.752941
64 KAA 0.480769 0.698925
65 GSU 0.480769 0.722222
66 AMO 0.480392 0.746988
67 DSZ 0.480392 0.703297
68 52H 0.48 0.666667
69 M33 0.478723 0.722892
70 BA3 0.478261 0.690476
71 MAO 0.478261 0.82716
72 NEC 0.477778 0.75
73 AOC 0.477778 0.776316
74 DSH 0.477778 0.842105
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 NVA LMS 0.475728 0.736264
78 Y3J 0.47561 0.706667
79 G5A 0.474227 0.684783
80 A3T 0.473684 0.8
81 B4P 0.473118 0.690476
82 AP5 0.473118 0.690476
83 A3N 0.472527 0.766234
84 KB1 0.471698 0.833333
85 PRX 0.46875 0.73494
86 APC 0.46875 0.705882
87 AT4 0.468085 0.686047
88 PAJ 0.466019 0.712644
89 4AD 0.466019 0.759036
90 RBY 0.463918 0.72619
91 ADP PO3 0.463918 0.728395
92 ADV 0.463918 0.72619
93 ADX 0.463158 0.666667
94 MHZ 0.463158 0.82716
95 AU1 0.463158 0.674419
96 YAP 0.462963 0.738095
97 TXA 0.462264 0.72619
98 NB8 0.462264 0.72093
99 A3G 0.461538 0.802632
100 VRT 0.459184 0.842105
101 XAH 0.458716 0.715909
102 YSA 0.458716 0.684783
103 HEJ 0.458333 0.690476
104 50T 0.458333 0.682353
105 ATP 0.458333 0.690476
106 LEU LMS 0.457143 0.717391
107 7D7 0.45679 0.723684
108 KH3 0.455357 0.871795
109 ACQ 0.454545 0.694118
110 AR6 0.453608 0.710843
111 APR 0.453608 0.710843
112 AQP 0.453608 0.690476
113 5FA 0.453608 0.690476
114 NSS 0.451923 0.703297
115 FA5 0.449541 0.746988
116 A5D 0.44898 0.789474
117 AD9 0.44898 0.674419
118 AGS 0.44898 0.678161
119 SAP 0.44898 0.678161
120 PTJ 0.448598 0.72093
121 YLB 0.448276 0.758621
122 YLP 0.447368 0.738636
123 8X1 0.446602 0.680851
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 3AM 0.444444 0.674699
128 MYR AMP 0.444444 0.776471
129 OAD 0.443396 0.73494
130 2VA 0.443299 0.779221
131 S8M 0.442308 0.831169
132 OOB 0.442308 0.722892
133 TYR AMP 0.441441 0.759036
134 6YZ 0.441176 0.694118
135 ADP VO4 0.441176 0.702381
136 VO4 ADP 0.441176 0.702381
137 T99 0.44 0.686047
138 TAT 0.44 0.686047
139 ANP 0.44 0.674419
140 WAQ 0.439252 0.75
141 B5Y 0.436364 0.717647
142 8PZ 0.436364 0.684783
143 F0P 0.435897 0.844156
144 YLC 0.435897 0.755814
145 AAT 0.435644 0.797468
146 1ZZ 0.435185 0.755814
147 9K8 0.435185 0.663158
148 3OD 0.435185 0.73494
149 NVA 2AD 0.434343 0.855263
150 00A 0.433962 0.689655
151 DLL 0.433962 0.722892
152 ARG AMP 0.433628 0.727273
153 7MD 0.433628 0.715909
154 ATF 0.431373 0.666667
155 SO8 0.43 0.792208
156 3UK 0.429907 0.714286
157 A6D 0.429907 0.72619
158 9X8 0.429907 0.717647
159 F2R 0.429752 0.7
160 5SV 0.428571 0.741176
161 AMP DBH 0.428571 0.714286
162 TYM 0.42735 0.746988
163 WSA 0.42735 0.692308
164 9SN 0.427273 0.681818
165 AHZ 0.426087 0.755814
166 P5A 0.425926 0.691489
167 B5V 0.425926 0.705882
168 PR8 0.425926 0.744186
169 A A 0.425926 0.710843
170 3NZ 0.425926 0.807692
171 A1R 0.424528 0.709302
172 2A5 0.424242 0.674419
173 7MC 0.423729 0.719101
174 B5M 0.423423 0.717647
175 7D5 0.422222 0.658824
176 JB6 0.422018 0.709302
177 FYA 0.422018 0.722892
178 AYB 0.421488 0.75
179 A22 0.419048 0.682353
180 MAP 0.419048 0.659091
181 2AM 0.417582 0.666667
182 TAD 0.417391 0.712644
183 A3P 0.416667 0.686747
184 ADP BMA 0.416667 0.714286
185 25A 0.415094 0.690476
186 YLA 0.413223 0.719101
187 8Q2 0.411765 0.663158
188 A3R 0.411215 0.709302
189 ADQ 0.411215 0.694118
190 48N 0.410256 0.72093
191 0XU 0.41 0.824324
192 GA7 0.408696 0.72619
193 7D3 0.40625 0.643678
194 PAP 0.405941 0.678571
195 DQV 0.405172 0.702381
196 OVE 0.404255 0.662791
197 4UV 0.403509 0.697674
198 AF3 ADP 3PG 0.403361 0.712644
199 3AD 0.402299 0.783784
200 CMP 0.402062 0.691358
201 2BA 0.402062 0.682927
202 7C5 0.4 0.731707
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M6T; Ligand: SAM; Similar sites found with APoc: 154
This union binding pocket(no: 1) in the query (biounit: 4m6t.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2ART LPA AMP None
2 1I3U RR1 None
3 1PZM 5GP None
4 4Z4P SAH 1.20482
5 1MXI SAH 1.25
6 3ZOK GLY 1.63934
7 3E3U NVC 1.63934
8 2Q1W NAD 1.63934
9 1QSR ACO 1.85185
10 4MIB 28M 2.18579
11 4YBN FAD 2.18579
12 5KOX FAD 2.18579
13 5KOX RFP 2.18579
14 2G5C NAD 2.18579
15 1Z08 GNP 2.18579
16 4B74 1LH 2.73224
17 6CGD AKN 2.73224
18 6CGD GNP 2.73224
19 5VW2 NAP 2.73224
20 5VW2 FDA 2.73224
21 4C2X NHW 2.73224
22 4QMN DB8 2.73224
23 6C8X BVR 3.0303
24 4JF5 FLC 3.27869
25 4DPL NAP 3.27869
26 1OF8 G3P 3.27869
27 2A2C ADP 3.27869
28 2A2C NG1 3.27869
29 6EDK 1YA 3.27869
30 1YKJ FAD 3.27869
31 1YKJ PHB 3.27869
32 6DA9 FMN 3.27869
33 1WPY BTN 3.27869
34 2XTZ GSP 3.27869
35 3ZQ6 ADP ALF 3.27869
36 4L3L 5FI 3.82514
37 5GXU FAD 3.82514
38 4GE6 B26 3.82514
39 3CX8 GSP 3.82514
40 1KUV CA5 3.82514
41 2H21 SAM 3.82514
42 5UWA 8ND 3.82514
43 4U9W COA 3.82514
44 5VA6 SAH 3.82514
45 5VAC SAH 3.82514
46 5VAH SAH 3.82514
47 3ORF NAD 3.98406
48 3F5O UOC COA 4.05405
49 5H86 BCO 4.16667
50 4EUE NAI 4.30622
51 2X6T ADP BMA 4.37158
52 2CNE DFJ 4.37158
53 2VHW NAI 4.37158
54 3QKT ANP 4.37158
55 4INQ PIF 4.37158
56 1S5P LYS GLY GLY ALA ALY ARG HIS ARG 4.37158
57 4O0L NDP 4.37158
58 4L2I FAD 4.37158
59 2CXG GLC GLC 4.37158
60 4AZW ATP 4.37158
61 4F07 FAD 4.37158
62 3UA1 08Y 4.37158
63 1EQ2 ADQ 4.37158
64 1SVK ALF GDP 4.37158
65 3K9U ACO 4.40252
66 3O5N BR0 4.46429
67 2ZPA ADP 4.91803
68 6AU6 GDP 4.91803
69 1OMO NAD 4.91803
70 5LX9 OLB 4.91803
71 2ZPA ACO 4.91803
72 5NJI 8Z2 4.91803
73 1TLC DGP 4.91803
74 1LLU NAD 4.91803
75 1F2U ATP 5.40541
76 2NYA MGD 5.46448
77 2IV2 MGD 5.46448
78 4AU7 SAH 5.46448
79 4B2Z P5S 5.46448
80 2CNT COA 5.625
81 5OVV ACE ILE GLU SER THR GLU ILE 5.69106
82 1RRV TYD 6.01093
83 3IO3 ADP 6.01093
84 4FN4 NAD 6.01093
85 3EWP APR 6.21469
86 5G3N X28 6.29921
87 5TPX 7H7 6.50407
88 2DXU BT5 6.55738
89 3KTA AP5 6.55738
90 5VZ0 ADP 6.55738
91 3RMK BML 6.55738
92 4YHB FAD 6.55738
93 3AKI AH8 6.55738
94 4K49 HFQ 6.61765
95 3BC1 GNP 6.77966
96 2AZC 3TL 7.07071
97 4X8O AP5 7.10383
98 5MU6 MYA 7.10383
99 5MU6 KFK 7.10383
100 3ZXR P3S 7.10383
101 2JL1 NAP 7.10383
102 1E96 GTP 7.10383
103 1TAD ALF 7.10383
104 1TAD GDP 7.10383
105 3ZXR IQ1 7.10383
106 4TVD BGC 7.65027
107 5OCG GNP 7.65027
108 1XNG DND 7.65027
109 2GU8 796 8.19672
110 1NRJ GTP 8.19672
111 5CPR SAM 8.19672
112 3JZ4 NAP 8.19672
113 2QTV GNP 8.19672
114 6BA2 7KM 8.74317
115 2NGR GDP 8.74317
116 1FQJ GDP 8.74317
117 5U6D 7XG 9.28962
118 4ZFL 4NK 9.28962
119 1GWC GTX 9.28962
120 5GS9 ARG 9.49555
121 5A89 FMN 9.61539
122 3DLA NXX 9.83607
123 1YQS BSA 10.3825
124 6BJA COA 10.3825
125 5UIJ TYD 10.3825
126 2GMH FAD 10.3825
127 2FT0 ACO 10.3825
128 3DLG GWE 10.3825
129 3ABI NAD 10.3825
130 1WWZ ACO 10.6918
131 2YNE NHW 10.929
132 2YNE YNE 10.929
133 2YNC YNC 10.929
134 1HDR NAD 10.929
135 2GMV PEP 10.929
136 2GMV UN8 10.929
137 3T34 GDP 10.929
138 5GQX GLC GLC GLC GLC GLC GLC GLC 11.4754
139 2EFE GNH 11.4754
140 2WSA 646 12.0219
141 2WSA MYA 12.0219
142 6EMU SAM 12.0219
143 2QV6 GTP 12.5683
144 4IDN GNP 12.5683
145 3TM0 B31 13.6612
146 3TM0 ANP 13.6612
147 5CKS 52L 13.6612
148 4ZOH MCN 13.6612
149 2BKK ADP 14.2077
150 1CS4 GSP 14.7541
151 4H2W 5GP 14.7541
152 2H04 4UN 15.847
153 1V8K ANP 15.847
154 2VPQ ANP 18.0328
Pocket No.: 2; Query (leader) PDB : 4M6T; Ligand: SAM; 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: 4m6t.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4M6T; Ligand: SAM; Similar sites found with APoc: 5
This union binding pocket(no: 3) in the query (biounit: 4m6t.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5YW5 ADE None
2 2BLN FON 7.65027
3 2BLN U5P 7.65027
4 5VYR GMP 14.2077
5 5VYR B62 14.2077
Pocket No.: 4; Query (leader) PDB : 4M6T; Ligand: SAM; 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: 4m6t.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4M6T; Ligand: SAM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4m6t.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4M6T; Ligand: SAM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4m6t.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4M6T; Ligand: SAM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4m6t.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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