Receptor
PDB id Resolution Class Description Source Keywords
4Y30 2.1 Å EC: 2.1.1.- CRYSTAL STRUCTURE OF HUMAN PROTEIN ARGININE METHYLTRANSFERAS BOUND TO SAH AND EPZ020411 HOMO SAPIENS TRANSFERASE
Ref.: ARYL PYRAZOLES AS POTENT INHIBITORS OF ARGININE METHYLTRANSFERASES: IDENTIFICATION OF THE FIRST PRM COMPOUND. ACS MED.CHEM.LETT. V. 6 655 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:404;
A:405;
B:403;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
49L A:402;
B:402;
Valid;
Valid;
none;
none;
ic50 = 10 nM
442.594 C25 H38 N4 O3 CNCCN...
SAH B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
MG A:403;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Y2H 2.37 Å EC: 2.1.1.- CRYSTAL STRUCTURE OF HUMAN PROTEIN ARGININE METHYLTRANSFERAS BOUND TO SAH AND AN ARYL PYRAZOLE INHIBITOR HOMO SAPIENS TRANSFERASE
Ref.: ARYL PYRAZOLES AS POTENT INHIBITORS OF ARGININE METHYLTRANSFERASES: IDENTIFICATION OF THE FIRST PRM COMPOUND. ACS MED.CHEM.LETT. V. 6 655 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 57 families.
1 4Y30 ic50 = 10 nM 49L C25 H38 N4 O3 CNCCN(C)Cc....
2 4Y2H ic50 = 0.011 uM 49K C13 H17 F N4 CN(CCN)Cc1....
3 5EGS ic50 = 0.3 uM 5NR C14 H22 N2 c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 50 families.
1 4Y30 ic50 = 10 nM 49L C25 H38 N4 O3 CNCCN(C)Cc....
2 4Y2H ic50 = 0.011 uM 49K C13 H17 F N4 CN(CCN)Cc1....
3 5EGS ic50 = 0.3 uM 5NR C14 H22 N2 c1ccc(cc1)....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 5FUL ic50 = 18.3 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5FWA ic50 = 16.3 uM J7C C12 H18 N8 O3 [H]/N=C(N)....
3 5FWD - GJV C13 H21 N8 O3 c1nc(c2c(n....
4 4Y30 ic50 = 10 nM 49L C25 H38 N4 O3 CNCCN(C)Cc....
5 4Y2H ic50 = 0.011 uM 49K C13 H17 F N4 CN(CCN)Cc1....
6 5FUB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 5G02 - SFG C15 H23 N7 O5 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 49L; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 49L 1 1
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 : 4Y2H; Ligand: 49K; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4y2h.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4Y2H; Ligand: 49K; Similar sites found: 214
This union binding pocket(no: 2) in the query (biounit: 4y2h.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5N8V KZZ 0.01925 0.42627 None
2 3MN5 LAB 0.02053 0.42903 1.42045
3 1SQK LAR 0.02015 0.42123 1.42045
4 4B1V LAB 0.02746 0.41417 1.42045
5 1X87 NAD 0.0113 0.40464 1.42045
6 4UCI SAM 0.002466 0.44347 1.44578
7 2PT9 S4M 0.0000608 0.49438 1.55763
8 2PT9 2MH 0.0003193 0.43922 1.55763
9 2X24 X24 0.007736 0.42396 1.70455
10 1GY8 NAD 0.002802 0.41156 1.70455
11 2I7C AAT 0.000472 0.43298 1.76678
12 1I9G SAM 0.00002426 0.53001 1.78571
13 3C3D FO1 0.01113 0.43444 1.92926
14 5LVP ATP 0.03837 0.40309 1.92926
15 3S1S SAH 0.0002035 0.48019 1.98864
16 5E72 SAM 0.00003619 0.51732 2.02312
17 4D79 ATP 0.004128 0.43671 2.17391
18 3TDC 0EU 0.0000106 0.66267 2.27273
19 5MPT SAH 0.00009378 0.51338 2.27273
20 3VYW SAM 0.0002786 0.48244 2.27273
21 1VYP TNF 0.008451 0.40741 2.27273
22 3DXY SAM 0.00002528 0.56484 2.29358
23 2ZFU SAH 0.0001148 0.49971 2.32558
24 4KBA 1QM 0.02507 0.4092 2.41692
25 5JGL SAM 0.000363 0.49063 2.42215
26 4PIO SAH 0.00005991 0.46592 2.47678
27 4PIO AVI 0.00007915 0.46462 2.47678
28 5XLX SAH 0.01667 0.40833 2.48227
29 3VSE SAH 0.0001035 0.53379 2.55682
30 4D7E FAD 0.003081 0.40084 2.55682
31 2BZG SAH 0.00004137 0.52996 2.58621
32 4HNN LYS 0.02912 0.4219 2.60116
33 3LKZ SFG 0.0003553 0.48196 2.80374
34 3ICT ADP 0.01029 0.43239 2.84091
35 3ICS ADP 0.01312 0.42701 2.84091
36 1D4D SIN 0.04911 0.40804 2.84091
37 5E9W SAH 0.0005192 0.49828 2.88462
38 1G55 SAH 0.00002639 0.53359 2.91545
39 3ITJ CIT 0.02972 0.41235 2.95858
40 3G2O SAM 0.00001025 0.5582 3.01003
41 1Q0S SAH 0.0005938 0.45649 3.0888
42 5K7U SAM 0.0111 0.4166 3.11111
43 5THY SAH 0.0003761 0.47659 3.125
44 1KPG SAH 0.0001683 0.48793 3.13589
45 1KPH SAH 0.0001757 0.4871 3.13589
46 1TPY SAH 0.0002161 0.48314 3.13589
47 1L1E SAH 0.0008655 0.46035 3.13589
48 1XTP SAI 0.00001237 0.55439 3.14961
49 1KYQ NAD 0.01772 0.41014 3.28467
50 1T9D PYD 0.01996 0.4177 3.40909
51 5KVA SAM 0.0002084 0.48384 3.59712
52 2QGI UDP 0.03311 0.41914 3.62903
53 1ZMD NAI 0.002438 0.42741 3.69318
54 3L9W GSH 0.001873 0.42358 3.69318
55 3L9W AMP 0.001818 0.4188 3.69318
56 2NSX IFM 0.02616 0.41167 3.69318
57 2PX8 SAH 0.001713 0.45455 3.71747
58 1R6N 434 0.04112 0.41747 3.79147
59 1G60 SAM 0.0004256 0.47837 3.84615
60 5X62 SAH 0.000002828 0.59093 3.97727
61 1SQF SAM 0.0004058 0.48372 3.97727
62 1Y8Q ATP 0.0003846 0.4645 3.97727
63 4XFR CIT 0.03572 0.41563 3.98126
64 5KOK SAH 0.0001514 0.4989 4.26136
65 5KOK S9T 0.001453 0.41503 4.26136
66 5F7J ADE 0.01451 0.40815 4.375
67 4N49 SAM 0.001193 0.45409 4.43925
68 4BLW SAH 0.0002808 0.46307 4.49827
69 4BLW AMP 0.0004045 0.43545 4.49827
70 4KRI SAH 0.000007964 0.55171 4.54545
71 5JJR SAH 0.0002074 0.49731 4.54545
72 3SDV 911 0.03374 0.40271 4.54545
73 3OU2 SAH 0.0000327 0.50562 4.58716
74 1VBO MAN MAN MAN 0.03798 0.41542 4.69799
75 3QOX SAH 0.000007059 0.54333 4.82955
76 2CDU ADP 0.009381 0.42336 4.82955
77 1WDK N8E 0.01105 0.41996 4.82955
78 4II2 ATP 0.002292 0.44136 4.90798
79 1LSS NAD 0.000249 0.48463 5
80 3WV8 ATP 0.006975 0.42277 5.04587
81 5MGZ SAH 0.00004241 0.52417 5.08475
82 5MW4 5JU 0.00009205 0.44052 5.08982
83 3C6K SPD 0.001376 0.41122 5.11364
84 3C6K MTA 0.001376 0.41122 5.11364
85 4WQ2 3SU 0.02361 0.40415 5.20231
86 4RDH AMP 0.003371 0.44851 5.20833
87 4RDI ATP 0.004451 0.43518 5.20833
88 5XVK SAH 0.0005861 0.46032 5.28169
89 1W2D ADP 0.04968 0.40055 5.28302
90 2VDV SAM 0.00004016 0.54813 5.28455
91 1R18 SAH 0.00001468 0.53458 5.28634
92 1I1N SAH 0.00002397 0.5028 5.30973
93 2A14 SAH 0.00044 0.46954 5.32319
94 1QAN SAH 0.00004513 0.5131 5.32787
95 4IBF 1D5 0.03574 0.40144 5.42636
96 3H8V ATP 0.007384 0.4249 5.47945
97 5LOG SAH 0.000137 0.50088 5.5794
98 5F8F SFG 0.0004557 0.49074 5.68182
99 5CHR 4NC 0.02634 0.42501 5.83942
100 5FTW SAH 0.005309 0.42496 5.85938
101 5DNK SAH 0.00003982 0.56176 5.96591
102 1V59 NAD 0.002108 0.4674 5.96591
103 2DPM SAM 0.0002987 0.47695 5.98592
104 5XVQ SAH 0.001053 0.44931 5.98592
105 5UDS ATP 0.02978 0.41232 6.29371
106 3C3Y SAH 0.006908 0.42297 6.32911
107 4POO SAM 0.000435 0.46223 6.5
108 3PT9 SAH 0.00005619 0.52375 6.53409
109 2P41 SAH 0.0001144 0.50935 6.55738
110 5UTQ OAN 0.02756 0.40394 6.57143
111 2CHG ANP 0.02749 0.40096 6.63717
112 4UA3 COA 0.01898 0.40277 6.70103
113 5BW4 SAM 0.000046 0.53331 6.74157
114 2EJU SAH 0.00001081 0.55714 6.81818
115 5THZ SAH 0.0005545 0.46136 6.81818
116 2PSJ CEI 0.04125 0.41226 6.89655
117 3EVG SAH 0.0001472 0.50426 6.90909
118 3KO0 TFP 0.01753 0.42836 6.93069
119 1YXM ADE 0.01612 0.41555 6.93069
120 4RVG SAM 0.0003476 0.41769 7.10227
121 4RVG TYD 0.0003784 0.40973 7.10227
122 3P2E SAH 0.0006347 0.46639 7.11111
123 3MQ2 SAH 0.0005778 0.48103 7.33945
124 4NEC SAH 0.000258 0.50274 7.57576
125 4AZT SAM 0.0001817 0.5 7.67045
126 4AZW SAM 0.000283 0.48648 7.67045
127 3H2B SAH 0.0000003118 0.62172 7.88177
128 3BGD SAH 0.00009828 0.49386 8.07692
129 3BGD PM6 0.00009784 0.47813 8.07692
130 2ZIF SAM 0.000008272 0.55663 8.08081
131 3LCV SAM 0.002111 0.43623 8.18505
132 1U2Z SAH 0.000002729 0.56118 8.23864
133 4DCM SAM 0.00006905 0.53054 8.23864
134 3IHG FAD 0.005008 0.40658 8.23864
135 4E70 N7I 0.003869 0.40857 8.24742
136 2PXX SAH 0.0002843 0.48639 8.37209
137 2UYQ SAM 0.005089 0.45945 8.3871
138 4RL4 PPV 0.0284 0.41532 8.49057
139 4QYS PLR 0.01782 0.42021 8.52273
140 1NW5 SAM 0.0001342 0.5013 8.77743
141 1JQ3 AAT 0.000532 0.43375 8.78378
142 2O1V ADP 0.02137 0.41989 8.80682
143 2O07 MTA 0.0007397 0.44265 8.88158
144 2O07 SPD 0.000735 0.43679 8.88158
145 3A25 SAM 0.00001795 0.54686 8.9701
146 4NB5 2JT 0.01181 0.41536 9.35672
147 4KIB SAH 0.00001113 0.40233 9.375
148 4ZTD ALA GLY ALA GLY ALA 0.01949 0.4272 9.48617
149 1JQD SAH 0.001987 0.4199 9.58904
150 1JQD HSM 0.004277 0.41447 9.58904
151 3JWH SAH 0.00001998 0.57003 9.67742
152 1VE3 SAM 0.00008733 0.51482 9.69163
153 5ULP KB1 0.000129 0.48467 9.70149
154 2YX1 SFG 0.0000008394 0.63146 9.82143
155 5L95 AMP 0.002013 0.4475 10
156 4KXQ APR 0.01069 0.40841 10
157 3BXO SAM 0.00004465 0.54585 10.0418
158 2YVJ NAI 0.01941 0.40521 10.0917
159 2AOT SAH 0.0001876 0.50946 10.274
160 2D4V FLC 0.03116 0.41502 10.7955
161 4DE2 DN3 0.03874 0.40991 11.0266
162 5E8J SAH 0.0001933 0.51428 11.3636
163 4DMG SAM 0.00113 0.48114 11.3636
164 1H0A I3P 0.02402 0.42622 11.3924
165 5GVR LMR 0.03567 0.41133 12.3932
166 5HJM MTA 0.000007813 0.55776 12.5
167 5GWX SAR 0.001127 0.43828 12.5
168 5GWX SAM 0.001127 0.43828 12.5
169 4YMH SAH 0.00001442 0.54013 12.9167
170 5T67 JHZ 0.0005037 0.40014 13.0682
171 3FZG SAM 0.0008332 0.47801 13.5
172 5C1M OLC 0.01984 0.44299 13.6
173 4OBW SAM 0.001081 0.46386 13.6187
174 3FPF MTA 0.0003983 0.42304 13.7584
175 3FPF TNA 0.0003983 0.42304 13.7584
176 1DL5 SAH 0.00001046 0.52173 14.1956
177 5JE0 AZ8 0.000004662 0.51851 14.5749
178 5JE0 SAH 0.000004662 0.51851 14.5749
179 4PNE SAH 0.000124 0.48949 15.2318
180 3GCZ SAM 0.0002477 0.49372 15.2482
181 3GXO SAH 0.0006864 0.4821 15.4472
182 3GWZ SAH 0.001165 0.47557 15.4472
183 4XUC 43G 0.00001983 0.48357 16.055
184 4XUC SAM 0.00001983 0.48357 16.055
185 1JG3 ADN 0.0002688 0.49206 16.1702
186 1KYZ SAH 0.0004084 0.4882 16.1932
187 2WA2 SAM 0.0004123 0.488 16.3043
188 5GM1 SAH 0.0001713 0.48342 16.835
189 5E1M SAH 0.0001577 0.45048 17.0124
190 5E1M PRO PRO LYS ARG ILE ALA 0.0001577 0.45048 17.0124
191 3Q87 SAM 0.0001752 0.483 17.0588
192 3T7S SAM 0.00005682 0.52353 17.1642
193 1XDS SAM 0.0005032 0.49367 17.3295
194 4R6W SAH 0.00001262 0.49807 17.4419
195 4R6W PC 0.0001127 0.40178 17.4419
196 1QZZ SAM 0.002038 0.46352 18.4659
197 4KRG SAH 0.00000662 0.57336 18.75
198 5FA8 SAM 0.0000006732 0.58747 19.2547
199 2HNK SAH 0.0003048 0.48069 20.0837
200 1P1C SAH 0.0001141 0.49107 20.1005
201 1Z3C SA8 0.000366 0.44863 20.8054
202 3A27 SAM 0.000001358 0.59914 20.9559
203 1XCL SAH 0.00008411 0.46685 21.2766
204 2XVM SAH 0.0001274 0.52327 23.1156
205 5FA5 MTA 0.00000006004 0.67917 25
206 1L3I SAH 0.00009958 0.48543 25.5208
207 3HVJ 705 0.00005468 0.45822 35.2941
208 4LWP SAH 0.00000000001983 0.82459 44.8864
209 5K8V 6RE 0.0000000000001128 0.63544 48.0114
210 5DXA SFG 0.0000000000003346 0.86011 48.1375
211 5DX8 SFG 0.0000000000004096 0.85631 48.1375
212 5DWQ SFG 0.0000000000007002 0.83588 48.1375
213 5DX0 SFG 0.000000000001047 0.81862 48.1375
214 5DX1 SFG 0.000000000002482 0.80297 48.1375
Pocket No.: 3; Query (leader) PDB : 4Y2H; Ligand: SAH; Similar sites found: 226
This union binding pocket(no: 3) in the query (biounit: 4y2h.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PU7 39A 0.02251 0.40851 None
2 3MN5 LAB 0.03841 0.41399 1.42045
3 1X87 NAD 0.01304 0.40193 1.42045
4 4UCI SAM 0.001262 0.45678 1.44578
5 2PT9 S4M 0.00006041 0.49449 1.55763
6 2PT9 2MH 0.0003325 0.43857 1.55763
7 2X24 X24 0.004841 0.43348 1.70455
8 4ZZE GLC GLC GLC 0.03519 0.41216 1.70455
9 2I7C AAT 0.0004529 0.43364 1.76678
10 1I9G SAM 0.00001893 0.53484 1.78571
11 3S1S SAH 0.0001089 0.49194 1.98864
12 3GFZ FMN 0.01993 0.41773 1.98864
13 5E72 SAM 0.00002109 0.52765 2.02312
14 1YRE COA 0.02488 0.40305 2.03046
15 4D79 ATP 0.004142 0.43664 2.17391
16 3TDC 0EU 0.000002103 0.66807 2.27273
17 5MPT SAH 0.00004682 0.52745 2.27273
18 3VYW SAM 0.0002976 0.48116 2.27273
19 1KYA XYD 0.03835 0.42167 2.27273
20 1VYP TNF 0.009553 0.40514 2.27273
21 1VYP FMN 0.009555 0.40257 2.27273
22 3DXY SAM 0.00001896 0.57118 2.29358
23 2ZFU SAH 0.00009198 0.50404 2.32558
24 5JGL SAM 0.0003191 0.4933 2.42215
25 3AQT RCO 0.04016 0.41226 2.44898
26 4PIO SAH 0.00006408 0.46485 2.47678
27 4PIO AVI 0.00008499 0.46347 2.47678
28 5XLX SAH 0.0119 0.41519 2.48227
29 3VSE SAH 0.00007013 0.54237 2.55682
30 4D7E FAD 0.002959 0.40148 2.55682
31 2BZG SAH 0.00004098 0.53015 2.58621
32 4HNN LYS 0.04265 0.41249 2.60116
33 5A3B APR 0.009369 0.40044 2.64026
34 3LKZ SFG 0.0002619 0.48802 2.80374
35 4IO2 GLU 0.03725 0.40053 2.82258
36 3ICT ADP 0.01438 0.42499 2.84091
37 3ICS ADP 0.01597 0.42265 2.84091
38 5E9W SAH 0.0002089 0.51833 2.88462
39 1G55 SAH 0.00002509 0.53459 2.91545
40 3G2O SAM 0.000005807 0.56971 3.01003
41 5DXG EST 0.03111 0.4078 3.06513
42 5DX3 EST 0.04231 0.4009 3.06513
43 5DXE EST 0.0369 0.40074 3.06513
44 1Q0S SAH 0.0006923 0.45365 3.0888
45 5K7U SAM 0.01109 0.41664 3.11111
46 5THY SAH 0.0002355 0.48572 3.125
47 1KPH SAH 0.0001902 0.48558 3.13589
48 1KPG SAH 0.000198 0.48482 3.13589
49 1TPY SAH 0.000211 0.4836 3.13589
50 1L1E SAH 0.0006448 0.46609 3.13589
51 1XTP SAI 0.0000144 0.55132 3.14961
52 1KYQ NAD 0.02289 0.40479 3.28467
53 4NTO 1PW 0.04449 0.40925 3.38164
54 1T9D PYD 0.0159 0.42276 3.40909
55 5KVA SAM 0.0001885 0.48575 3.59712
56 3L9W GSH 0.001635 0.42592 3.69318
57 2NSX IFM 0.01017 0.42516 3.69318
58 1ZMD NAI 0.003098 0.42306 3.69318
59 3L9W AMP 0.002331 0.41464 3.69318
60 2PX8 SAH 0.001489 0.45739 3.71747
61 1G60 SAM 0.000208 0.49259 3.84615
62 1ZOS MTM 0.02362 0.40413 3.91304
63 5X62 SAH 0.000003275 0.5879 3.97727
64 1SQF SAM 0.0003033 0.48961 3.97727
65 1Y8Q ATP 0.0008627 0.44959 3.97727
66 3ET1 ET1 0.01525 0.41327 4.12371
67 5KOK SAH 0.0001195 0.50359 4.26136
68 5KOK S9T 0.0009117 0.42247 4.26136
69 5KOK R9T 0.003835 0.40172 4.26136
70 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.02092 0.43587 4.34783
71 4N49 SAM 0.0009311 0.45893 4.43925
72 1N8V BDD 0.02818 0.41001 4.46429
73 5A7Y SAH 0.03615 0.41153 4.48718
74 4BLW SAH 0.0002773 0.4633 4.49827
75 4BLW AMP 0.0003965 0.43576 4.49827
76 4KRI SAH 0.000003934 0.56545 4.54545
77 5JJR SAH 0.0001463 0.50437 4.54545
78 4R9F BMA BMA 0.02994 0.41998 4.54545
79 3OU2 SAH 0.00003556 0.5041 4.58716
80 4TQG NDP 0.006281 0.40266 4.64396
81 1VBO MAN MAN MAN 0.04536 0.40948 4.69799
82 3QOX SAH 0.000007148 0.5431 4.82955
83 2CDU ADP 0.008727 0.42486 4.82955
84 4II2 ATP 0.002942 0.43649 4.90798
85 1LSS NAD 0.0003306 0.47911 5
86 3WV8 ATP 0.007594 0.42108 5.04587
87 5MGZ SAH 0.00005777 0.51803 5.08475
88 5MW4 5JU 0.00009066 0.44074 5.08982
89 3C6K MTA 0.0009994 0.41617 5.11364
90 3C6K SPD 0.0009994 0.41617 5.11364
91 4WQ2 3SU 0.02313 0.40457 5.20231
92 4RDH AMP 0.002859 0.45198 5.20833
93 4RDI ATP 0.003791 0.43844 5.20833
94 1Q1Y BB2 0.02045 0.41364 5.2356
95 5XVK SAH 0.0003982 0.46758 5.28169
96 2VDV SAM 0.00002473 0.55858 5.28455
97 1R18 SAH 0.00001107 0.53998 5.28634
98 1I1N SAH 0.0000143 0.51186 5.30973
99 2A14 SAH 0.0002494 0.4804 5.32319
100 1QAN SAH 0.00002872 0.52174 5.32787
101 3H8V ATP 0.0104 0.41794 5.47945
102 5LOG SAH 0.0001225 0.50311 5.5794
103 5F8F SFG 0.000193 0.50886 5.68182
104 5CHR 4NC 0.02276 0.42847 5.83942
105 5FTW SAH 0.005237 0.42523 5.85938
106 5DNK SAH 0.00002853 0.56927 5.96591
107 1V59 NAD 0.001474 0.47528 5.96591
108 2DPM SAM 0.0002367 0.4814 5.98592
109 5XVQ SAH 0.0007447 0.45582 5.98592
110 3KMR EQN 0.01571 0.40953 6.01504
111 3C3Y SAH 0.005876 0.42619 6.32911
112 4POO SAM 0.0004071 0.46345 6.5
113 3PT9 SAH 0.00005105 0.5257 6.53409
114 2P41 SAH 0.00009917 0.51225 6.55738
115 2CHG ANP 0.02166 0.40297 6.63717
116 5BW4 SAM 0.00002967 0.54237 6.74157
117 2EJU SAH 0.000006987 0.56597 6.81818
118 5THZ SAH 0.0003467 0.47018 6.81818
119 2PSJ CEI 0.0375 0.41457 6.89655
120 3EVG SAH 0.0001293 0.50688 6.90909
121 1YXM ADE 0.01051 0.42907 6.93069
122 3KO0 TFP 0.03075 0.40925 6.93069
123 5U83 ZN8 0.02234 0.427 7.07547
124 4RVG SAM 0.000538 0.41152 7.10227
125 4RVG TYD 0.0006124 0.40314 7.10227
126 3P2E SAH 0.0003889 0.47594 7.11111
127 3MQ2 SAH 0.0003283 0.49272 7.33945
128 154L NAG NAG NAG 0.006911 0.42625 7.56757
129 4NEC SAH 0.00009109 0.5247 7.57576
130 3BP1 GUN 0.04383 0.40793 7.58621
131 4AZT SAM 0.0001875 0.49935 7.67045
132 4AZW SAM 0.0001999 0.49338 7.67045
133 5X7Q GLC GLC GLC 0.01216 0.41238 7.67045
134 1XXA ARG 0.02311 0.42619 7.69231
135 3H2B SAH 0.0000006218 0.60802 7.88177
136 3BGD SAH 0.00008773 0.496 8.07692
137 3BGD PM6 0.0001185 0.47477 8.07692
138 2ZIF SAM 0.000004857 0.5672 8.08081
139 3LCV SAM 0.001593 0.44153 8.18505
140 1U2Z SAH 0.00000299 0.55947 8.23864
141 4DCM SAM 0.00005798 0.53422 8.23864
142 3IHG FAD 0.005019 0.40655 8.23864
143 4E70 N7I 0.003499 0.41027 8.24742
144 2PXX SAH 0.0003173 0.48421 8.37209
145 2UYQ SAM 0.005892 0.45576 8.3871
146 4RL4 PPV 0.02151 0.42235 8.49057
147 1NW5 SAM 0.0001142 0.5045 8.77743
148 1JQ3 AAT 0.0006684 0.43005 8.78378
149 2O07 MTA 0.0005111 0.44914 8.88158
150 2O07 SPD 0.0006275 0.43947 8.88158
151 3A25 SAM 0.00001416 0.55166 8.9701
152 2Z7R STU 0.01494 0.40471 9.03427
153 2F2G HMH 0.01823 0.43295 9.04977
154 2Q4X HMH 0.03357 0.41965 9.04977
155 3KVY R2B 0.03555 0.41807 9.06149
156 2JHP SAH 0.02823 0.40041 9.09091
157 2CB8 MYA 0.04486 0.41065 9.1954
158 1US5 GLU 0.04222 0.40095 9.23567
159 4KIB SAH 0.000009091 0.40384 9.375
160 4ZTD ALA GLY ALA GLY ALA 0.03372 0.4163 9.48617
161 1JQD SAH 0.002369 0.4169 9.58904
162 1JQD HSM 0.004548 0.41337 9.58904
163 3JWH SAH 0.00001372 0.5783 9.67742
164 1VE3 SAM 0.00004899 0.52653 9.69163
165 5ULP KB1 0.00008115 0.49322 9.70149
166 2YX1 SFG 0.0000008312 0.63167 9.82143
167 5L95 AMP 0.001733 0.45048 10
168 4KXQ APR 0.009169 0.41137 10
169 3BXO SAM 0.00003089 0.55379 10.0418
170 2YVJ NAI 0.01855 0.40614 10.0917
171 2AOT SAH 0.0002585 0.5027 10.274
172 4O08 PO6 0.03123 0.42107 11.215
173 5E8J SAH 0.0002963 0.50508 11.3636
174 4DMG SAM 0.0007955 0.48888 11.3636
175 5HJM MTA 0.000006128 0.56258 12.5
176 5GWX SAM 0.0009027 0.44224 12.5
177 5GWX SAR 0.0009027 0.44224 12.5
178 4YMH SAH 0.00001187 0.54393 12.9167
179 3FZG SAM 0.0005251 0.48775 13.5
180 5C1M OLC 0.003912 0.47466 13.6
181 4OBW SAM 0.001105 0.46344 13.6187
182 3FPF TNA 0.0002856 0.42797 13.7584
183 3FPF MTA 0.0002856 0.42797 13.7584
184 1DL5 SAH 0.000007862 0.52683 14.1956
185 2BHW XAT 0.0004653 0.52081 14.2241
186 2BHW NEX 0.04043 0.42988 14.2241
187 5JE0 AZ8 0.000003536 0.52313 14.5749
188 5JE0 SAH 0.000003536 0.52313 14.5749
189 4PNE SAH 0.0001589 0.48484 15.2318
190 3GCZ SAM 0.0001889 0.49921 15.2482
191 3GWZ SAH 0.0004679 0.49523 15.4472
192 3GXO SAH 0.0004605 0.49052 15.4472
193 4XUC 43G 0.00001458 0.48847 16.055
194 4XUC SAM 0.00001458 0.48847 16.055
195 1JG3 ADN 0.000216 0.49649 16.1702
196 1KYZ SAH 0.0004594 0.48577 16.1932
197 2WA2 SAM 0.0002922 0.49512 16.3043
198 5GM1 SAH 0.0001301 0.4886 16.835
199 5E1M PRO PRO LYS ARG ILE ALA 0.00007702 0.46192 17.0124
200 5E1M SAH 0.00007702 0.46192 17.0124
201 3Q87 SAM 0.0001689 0.48369 17.0588
202 3T7S SAM 0.00003275 0.53469 17.1642
203 1XDS SAM 0.0003128 0.50391 17.3295
204 4R6W SAH 0.000008182 0.50519 17.4419
205 4R6W PC 0.00006757 0.40768 17.4419
206 1QZZ SAM 0.00151 0.46997 18.4659
207 4KRG SAH 0.0000049 0.57958 18.75
208 5FA8 SAM 0.0000003653 0.59895 19.2547
209 2VOH CIT 0.02404 0.41748 19.7452
210 2HNK SAH 0.0002122 0.48774 20.0837
211 1P1C SAH 0.0001162 0.49072 20.1005
212 1Z3C SA8 0.0002163 0.45756 20.8054
213 3A27 SAM 0.000001144 0.60261 20.9559
214 1XCL SAH 0.00006552 0.47096 21.2766
215 2XVM SAH 0.00008987 0.53078 23.1156
216 5FA5 MTA 0.00000007321 0.67498 25
217 1L3I SAH 0.000091 0.48706 25.5208
218 5C2N NAG 0.03944 0.41391 29.1667
219 3HVJ 705 0.00003833 0.46364 35.2941
220 4LWP SAH 0.000000000006216 0.84807 44.8864
221 5K8V 6RE 0.000000000000009992 0.65979 48.0114
222 5DXA SFG 0.00000000000003297 0.90363 48.1375
223 5DX8 SFG 0.00000000000004519 0.89773 48.1375
224 5DWQ SFG 0.00000000000008593 0.87461 48.1375
225 5DX0 SFG 0.0000000000002142 0.8474 48.1375
226 5DX1 SFG 0.0000000000002893 0.84195 48.1375
Pocket No.: 4; Query (leader) PDB : 4Y2H; Ligand: SAH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4y2h.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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