-->
Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAH B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
49K A:402;
B:402;
Valid;
Valid;
none;
none;
ic50 = 0.011 uM
248.299 C13 H17 F N4 CN(CC...
GOL B:403;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
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
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 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 54 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 (12)
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 5EGS ic50 = 0.3 uM 5NR C14 H22 N2 c1ccc(cc1)....
7 4RYL ic50 = 31 nM 3ZG C16 H18 N4 O2 c1cc2cnccc....
8 5FUB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
9 5G02 - SFG C15 H23 N7 O5 c1nc(c2c(n....
10 2Y1W - SFG C15 H23 N7 O5 c1nc(c2c(n....
11 5DXJ - SFG C15 H23 N7 O5 c1nc(c2c(n....
12 3B3F - SAH C14 H20 N6 O5 S c1nc(c2c(n....
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: 49K; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 49K 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4Y30; Ligand: SAH; Similar sites found with APoc: 392
This union binding pocket(no: 1) in the query (biounit: 4y30.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 5N8V KZZ None
2 1PU7 39A None
3 4HBM 0Y7 None
4 2BOS GLA GAL GLC None
5 4XCP PLM 1.17647
6 4B1X LAB 1.4245
7 3MN5 LAB 1.4245
8 4B1V LAB 1.4245
9 1X87 NAD 1.4245
10 4M51 BEZ 1.4245
11 2PT9 2MH 1.55763
12 2PT9 S4M 1.55763
13 4UCI SAM 1.7094
14 2Q28 ADP 1.7094
15 2X24 X24 1.7094
16 1GY8 NAD 1.7094
17 4UBS DIF 1.7094
18 1KO8 6PG 1.71429
19 4OB6 S2T 1.75953
20 2I7C AAT 1.76678
21 5EXK 5AD 1.81269
22 5LVP ATP 1.92926
23 3S1S SAH 1.9943
24 5KOD IAC 1.9943
25 1BZL GCG 1.9943
26 1LYX PGA 2.01613
27 6CQF F97 2.0202
28 5E72 SAM 2.02312
29 1NU4 MLA 2.06186
30 6EYT UDP 2.14067
31 4GK9 MAN BMA MAN MAN MAN 2.15054
32 4D79 ATP 2.17391
33 3VYW SAM 2.27273
34 3TDC 0EU 2.2792
35 5MPT SAH 2.2792
36 1Y8Q ATP 2.2792
37 1KYA XYD 2.2792
38 1VYP TNF 2.2792
39 2RFZ CTR 2.2792
40 3DXY SAM 2.29358
41 2VT3 ATP 2.32558
42 2ZFU SAH 2.32558
43 3N8K D1X 2.32558
44 4KBA 1QM 2.41692
45 5W4W 9WG 2.41692
46 5JGL SAM 2.42215
47 4PIO SAH 2.47678
48 4PIO AVI 2.47678
49 5XLX SAH 2.48227
50 3VSE SAH 2.5641
51 5ICE 2H4 2.5641
52 6F97 FAD 2.5641
53 5OSW DIU 2.5641
54 5ICE SAH 2.5641
55 4D7E FAD 2.5641
56 2BZG SAH 2.58621
57 2ATJ BHO 2.5974
58 5A3B APR 2.64026
59 4YAC NAI 2.6936
60 3LKZ SFG 2.80374
61 2JHP SAH 2.849
62 5YF1 8V0 2.849
63 3ICT ADP 2.849
64 3ICS ADP 2.849
65 5YF1 SFG 2.849
66 6BVE PGA 2.85714
67 5E9W SAH 2.88462
68 1G55 SAH 2.91545
69 5YEE LAB 2.94118
70 5ZZB LAB 2.94118
71 3G2O SAM 3.01003
72 4DDY DN6 3.04183
73 4DE2 DN3 3.04183
74 4DDS 0J7 3.04183
75 5DXG EST 3.06513
76 1Q0S SAH 3.0888
77 2QZO KN1 3.10078
78 5K7U SAM 3.11111
79 1FP2 SAH 3.1339
80 5THY SAH 3.1339
81 3P9C SAH 3.1339
82 4TVD BGC 3.1339
83 1FP2 HMO 3.1339
84 1KPH SAH 3.13589
85 1KPG SAH 3.13589
86 1TPY SAH 3.13589
87 1L1E SAH 3.13589
88 1XTP SAI 3.14961
89 3P9T TCL 3.19635
90 5W7K SAH 3.20513
91 3GEG NAD 3.23887
92 1KYQ NAD 3.28467
93 5IL1 SAM 3.30189
94 1UAY ADN 3.30579
95 1PJS NAD 3.4188
96 1T9D PYD 3.4188
97 3QVP FAD 3.4188
98 5WKC PXD 3.4188
99 4LOC BTN 3.4188
100 1COY FAD 3.4188
101 3RKR NAP 3.43511
102 3TKA SAM 3.45821
103 1NJR XYL 3.52113
104 3MAG SAH 3.58306
105 5KVA SAM 3.59712
106 5BSZ SAH 3.6
107 2Y7P SAL 3.66972
108 4II2 ATP 3.68098
109 5I7A 68Q 3.68098
110 4U00 ADP 3.68852
111 3MCT SAH 3.7037
112 2NSX IFM 3.7037
113 3L9W GSH 3.7037
114 3L9W AMP 3.7037
115 3UOY FAD 3.7037
116 3UOY NAP 3.7037
117 2PX8 SAH 3.71747
118 1PFK ADP 3.75
119 5U19 SAH 3.81232
120 5U19 827 3.81232
121 1G60 SAM 3.84615
122 3QP4 HL0 3.84615
123 1V6A TRE 3.91566
124 4XFR CIT 3.98126
125 1KYZ SAH 3.9886
126 1SQF SAM 3.9886
127 5X62 SAH 3.9886
128 1M1B SPV 4.0678
129 2X52 GYT 4.09357
130 6ECU SAH 4.11392
131 5K04 COA 4.11765
132 3ET1 ET1 4.12371
133 5W7M SAH 4.16667
134 6BQ6 TER 4.22961
135 1TL2 NDG 4.23729
136 5KOK SAH 4.2735
137 5A0U CHT 4.2735
138 5KOK S9T 4.2735
139 5KOK R9T 4.2735
140 5F7J ADE 4.375
141 4N49 SAM 4.43925
142 6ECW SAH 4.44444
143 1N8V BDD 4.46429
144 4BLW AMP 4.49827
145 4BLW SAH 4.49827
146 5ZQ4 AMP 4.50928
147 4KRI SAH 4.5584
148 5JJR SAH 4.5584
149 6CGN DA 4.5584
150 1TV5 N8E 4.5584
151 3OU2 SAH 4.58716
152 3BY9 SIN 4.61538
153 4TQG NDP 4.64396
154 1VBO MAN MAN MAN 4.69799
155 3C6K MTA 4.72441
156 3C6K SPD 4.72441
157 1ZOS MTM 4.78261
158 2CDU ADP 4.8433
159 3QOX SAH 4.8433
160 1GPE FAD 4.8433
161 2OBF SAH 4.84429
162 2OBF F83 4.84429
163 5LX9 OLB 4.88599
164 5N26 CPT 4.94506
165 1LSS NAD 5
166 3WV8 ATP 5.04587
167 5MGZ SAH 5.08475
168 5MW4 5JU 5.08982
169 2ZE3 AKG 5.09091
170 6FS0 E4W 5.11628
171 3T3Z 9PL 5.12821
172 3SQP FAD 5.12821
173 4WQ2 3SU 5.20231
174 4RDH AMP 5.20833
175 4RDI ATP 5.20833
176 5YJI SAH 5.28169
177 5YJI 8WO 5.28169
178 1W2D ADP 5.28302
179 2VDV SAM 5.28455
180 1R18 SAH 5.28634
181 1I1N SAH 5.30973
182 2A14 SAH 5.32319
183 1QAN SAH 5.32787
184 3H8V ATP 5.47945
185 5X8I SQZ 5.49133
186 5LOG SAH 5.5794
187 1DTL BEP 5.59006
188 5F8F SFG 5.69801
189 1T36 ORN 5.69801
190 5OC1 FAD 5.69801
191 5CHR 4NC 5.83942
192 5FTW SAH 5.85938
193 4QAR ADE 5.97015
194 5DNK SAH 5.98291
195 1V59 NAD 5.98291
196 2WPF FAD 5.98291
197 2WPF WPF 5.98291
198 2DPM SAM 5.98592
199 5YJF 8WO 5.98592
200 5YJF SAH 5.98592
201 3KMR EQN 6.01504
202 5FUI APY 6.06061
203 4YUW 4JU 6.25
204 4YUW S4M 6.25
205 3GUZ PAF 6.25
206 5MLJ 9ST 6.25
207 6FDF SAH 6.28743
208 6DUB SAH 6.30631
209 3LST SAH 6.32184
210 3C3Y SAH 6.32911
211 4WGF HX2 6.34146
212 2OZ5 7XY 6.41892
213 1XTT U5P 6.48148
214 4POO SAM 6.5
215 3EYK EYK 6.50155
216 3PT9 SAH 6.55271
217 1FP1 SAH 6.55271
218 5HSA FAS 6.55271
219 2P41 SAH 6.55738
220 1NW5 SAM 6.58307
221 1M2Z BOG 6.61479
222 2CHG ANP 6.63717
223 4UA3 COA 6.70103
224 5BW4 SAM 6.74157
225 1IA9 ANP 6.78571
226 5THZ SAH 6.83761
227 5W7R SAH 6.83761
228 2EJU SAH 6.83761
229 4Y9D NAI 6.88525
230 3ZF8 GDP 6.88525
231 2PSJ CEI 6.89655
232 1TH8 ADP 6.89655
233 3EVG SAH 6.90909
234 1YXM ADE 6.93069
235 3KO0 TFP 6.93069
236 2HMT NAI 6.94444
237 5YEC ATP 7.05882
238 5U83 ZN8 7.07547
239 3P2E SAH 7.11111
240 4A6D SAM 7.12251
241 4RVG SAM 7.12251
242 4RVG TYD 7.12251
243 3MQ2 SAH 7.33945
244 5ERG SAM 7.40741
245 5CUQ NSC 7.49064
246 4NEC SAH 7.57576
247 3PFG SAM 7.60456
248 3PFG TLO 7.60456
249 6C8R SAH 7.69231
250 4AZW SAM 7.69231
251 5X7Q GLC GLC GLC GLC 7.69231
252 5X7Q GLC GLC GLC 7.69231
253 1XXA ARG 7.69231
254 6C8R EQV 7.69231
255 1WVG APR 7.69231
256 3NJQ NJQ 7.77202
257 6CB2 OLC 7.84983
258 3H2B SAH 7.88177
259 3TKY SAH 7.97721
260 4HA6 FAD 7.97721
261 3BGD SAH 8.07692
262 3BGD PM6 8.07692
263 2ZIF SAM 8.08081
264 3LCV SAM 8.18505
265 4E70 N7I 8.24742
266 4DCM SAM 8.26211
267 1LVL NAD 8.26211
268 1U2Z SAH 8.26211
269 3IHG FAD 8.26211
270 2PXX SAH 8.37209
271 2UYQ SAM 8.3871
272 4RL4 PPV 8.49057
273 5OKL PAM 8.54701
274 4QYS PLR 8.54701
275 2Q8G AZX 8.54701
276 2IMP LAC 8.54701
277 3WW2 SF9 8.59375
278 3ZKN WZV 8.59729
279 4CQM NAP 8.60656
280 1JQ3 AAT 8.78378
281 4YNU LGC 8.83191
282 2O07 SPD 8.88158
283 2O07 MTA 8.88158
284 3A25 SAM 8.9701
285 2F2G HMH 9.04977
286 5XNC MTA 9.11681
287 6B92 SAH 9.18367
288 154L NAG NAG NAG 9.18919
289 2CB8 MYA 9.1954
290 1T0S BML 9.30233
291 4KIB SAH 9.40171
292 4ZTD ALA GLY ALA GLY ALA 9.48617
293 2AOT SAH 9.58904
294 1JQD SAH 9.58904
295 1JQD HSM 9.58904
296 3JWH SAH 9.67742
297 1VE3 SAM 9.69163
298 5ULP KB1 9.70149
299 2YX1 SFG 9.82143
300 5L95 AMP 10
301 4KXQ APR 10
302 3BXO SAM 10.0418
303 2YVJ NAI 10.0917
304 5N5D SAM 10.177
305 1ZEM NAD 10.3053
306 3KIH GDL 10.3093
307 4HNN LYS 10.4046
308 6C5B SAH 10.5572
309 6GFK SAH 10.757
310 5UGW GSH 10.8571
311 4DMG SAM 11.1111
312 4O08 PO6 11.215
313 5E8J SAH 11.3636
314 6BR9 PGV 11.396
315 1ZGA SAH 11.4846
316 5WP4 SAH 11.9658
317 4RYV ZEA 12.2581
318 5GVR LMR 12.3932
319 5GWX SAR 12.5356
320 5GWX SAM 12.5356
321 5HJM MTA 12.5356
322 4YMH SAH 12.9167
323 5T67 JHZ 13.1054
324 5T67 SAH 13.1054
325 2IDO TMP 13.253
326 3FZG SAM 13.5
327 1LNX URI 13.5802
328 5C1M OLC 13.6
329 4OBW SAM 13.6187
330 3FPF TNA 13.7584
331 3FPF MTA 13.7584
332 6ECT SAM 14.0187
333 1DL5 SAH 14.1956
334 2BHW XAT 14.2241
335 2BHW NEX 14.2241
336 1I9G SAM 14.2857
337 2DHC DCE 14.5161
338 6GKV SAH 14.5299
339 5JE0 SAH 14.5749
340 5JE0 AZ8 14.5749
341 5UFN SAH 14.7059
342 4PNE SAH 15.2318
343 3GCZ SAM 15.2482
344 3GWZ SAH 15.4472
345 3GXO SAH 15.4472
346 3GXO MQA 15.4472
347 5ZZA LAB 15.7025
348 4XUC SAM 16.055
349 4XUC 43G 16.055
350 1JG3 ADN 16.1702
351 2WA2 SAM 16.3043
352 5GM1 SAH 16.835
353 5E1M PRO PRO LYS ARG ILE ALA 17.0124
354 5E1M SAH 17.0124
355 3Q87 SAM 17.0588
356 4AP3 NAP 17.094
357 4AP3 FAD 17.094
358 3T7S SAM 17.1642
359 4R6W PC 17.4419
360 4R6W SAH 17.4419
361 2PWY SAH 17.8295
362 1XDS SAM 17.9487
363 6F5Z SAH 18.1818
364 1QZZ SAM 18.5185
365 5W97 CHD 18.6441
366 5ZCO CHD 18.6441
367 5Z84 CHD 18.6441
368 4KRG SAH 18.8034
369 5NNT DPV 18.9189
370 5FA8 SAM 19.2547
371 2HNK SAH 20.0837
372 1P1C SAH 20.1005
373 1Z3C SA8 20.8054
374 3A27 SAM 20.9559
375 1XCL SAH 21.2766
376 4GQB 0XU 22.7273
377 43CA NPO 23.0089
378 2XVM SAH 23.1156
379 5FA5 MTA 25
380 1L3I SAH 25.5208
381 3MB5 SAM 25.8824
382 5C2N NAG 29.1667
383 3HVJ 705 35.2941
384 4B1W LAB 43.75
385 4LWP SAH 44.4444
386 5DXA SFG 48.1375
387 6ARJ SAH 48.1375
388 6ARJ BW4 48.1375
389 5DX1 SFG 48.1375
390 5DX0 SFG 48.1375
391 5DWQ SFG 48.1375
392 5DX8 SFG 48.1375
Pocket No.: 2; Query (leader) PDB : 4Y30; Ligand: 49L; Similar sites found with APoc: 366
This union binding pocket(no: 2) in the query (biounit: 4y30.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 5N8V KZZ None
2 1PU7 39A None
3 2BOS GLA GAL GLC None
4 4B1X LAB 1.4245
5 4B1V LAB 1.4245
6 1X87 NAD 1.4245
7 4M51 BEZ 1.4245
8 2PT9 2MH 1.55763
9 2PT9 S4M 1.55763
10 4ZON 4Q1 1.60256
11 4UCI SAM 1.7094
12 2Q28 ADP 1.7094
13 2X24 X24 1.7094
14 1FDJ 13P 1.7094
15 4RF7 ARG 1.7094
16 1GY8 NAD 1.7094
17 4UBS DIF 1.7094
18 1KO8 6PG 1.71429
19 2I7C AAT 1.76678
20 5LVP ATP 1.92926
21 3S1S SAH 1.9943
22 1J78 VDY 1.9943
23 3GFZ FMN 1.9943
24 1LYX PGA 2.01613
25 5E72 SAM 2.02312
26 1YRE COA 2.03046
27 6BMS POV 2.05279
28 1NU4 MLA 2.06186
29 4GK9 MAN BMA MAN MAN MAN 2.15054
30 4D79 ATP 2.17391
31 3VYW SAM 2.27273
32 3TDC 0EU 2.2792
33 5MPT SAH 2.2792
34 1Y8Q ATP 2.2792
35 1TQ4 GDP 2.2792
36 1KYA XYD 2.2792
37 1VYP TNF 2.2792
38 3KJM 245 2.2792
39 2RFZ CTR 2.2792
40 3DXY SAM 2.29358
41 2ZFU SAH 2.32558
42 2VT3 ATP 2.32558
43 3N8K D1X 2.32558
44 5JGL SAM 2.42215
45 3AQT RCO 2.44898
46 4PIO SAH 2.47678
47 4PIO AVI 2.47678
48 5XLX SAH 2.48227
49 3VSE SAH 2.5641
50 5ICE SAH 2.5641
51 5OSW DIU 2.5641
52 5ICE 2H4 2.5641
53 6F97 FAD 2.5641
54 4D7E FAD 2.5641
55 4G2R H1L 2.5641
56 2BZG SAH 2.58621
57 2ATJ BHO 2.5974
58 5A3B APR 2.64026
59 4YAC NAI 2.6936
60 3LKZ SFG 2.80374
61 5YF1 SFG 2.849
62 2JHP SAH 2.849
63 5YF1 8V0 2.849
64 3ICT ADP 2.849
65 3ICS ADP 2.849
66 5E9W SAH 2.88462
67 1G55 SAH 2.91545
68 5YEE LAB 2.94118
69 5ZZB LAB 2.94118
70 3G2O SAM 3.01003
71 4DDY DN6 3.04183
72 4DE2 DN3 3.04183
73 4DDS 0J7 3.04183
74 5DXG EST 3.06513
75 1Q0S SAH 3.0888
76 2QZO KN1 3.10078
77 5K7U SAM 3.11111
78 1FP2 SAH 3.1339
79 5THY SAH 3.1339
80 3P9C SAH 3.1339
81 1FP2 HMO 3.1339
82 1KPH SAH 3.13589
83 1KPG SAH 3.13589
84 1TPY SAH 3.13589
85 1L1E SAH 3.13589
86 1XTP SAI 3.14961
87 3P9T TCL 3.19635
88 5W7K SAH 3.20513
89 3GEG NAD 3.23887
90 1KYQ NAD 3.28467
91 5IL1 SAM 3.30189
92 1UAY ADN 3.30579
93 1PJS NAD 3.4188
94 1T9D PYD 3.4188
95 5WKC PXD 3.4188
96 3QVP FAD 3.4188
97 4LOC BTN 3.4188
98 3RKR NAP 3.43511
99 3TKA SAM 3.45821
100 1NJR XYL 3.52113
101 3MAG SAH 3.58306
102 5KVA SAM 3.59712
103 5BSZ SAH 3.6
104 5ME4 HP4 3.64964
105 2Y7P SAL 3.66972
106 4II2 ATP 3.68098
107 5I7A 68Q 3.68098
108 4U00 ADP 3.68852
109 3MCT SAH 3.7037
110 2NSX IFM 3.7037
111 3L9W GSH 3.7037
112 3L9W AMP 3.7037
113 3UOY NAP 3.7037
114 3UOY FAD 3.7037
115 2PX8 SAH 3.71747
116 1PFK ADP 3.75
117 1TMX HGX 3.75427
118 5U19 SAH 3.81232
119 5U19 827 3.81232
120 1G60 SAM 3.84615
121 3QP4 HL0 3.84615
122 4XFR CIT 3.98126
123 1KYZ SAH 3.9886
124 1SQF SAM 3.9886
125 5X62 SAH 3.9886
126 6ECU SAH 4.11392
127 5K04 COA 4.11765
128 3ET1 ET1 4.12371
129 5W7M SAH 4.16667
130 6BQ6 TER 4.22961
131 5KOK SAH 4.2735
132 5KOK S9T 4.2735
133 5KOK R9T 4.2735
134 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 4.34783
135 5F7J ADE 4.375
136 4N49 SAM 4.43925
137 6ECW SAH 4.44444
138 1N8V BDD 4.46429
139 5A7Y SAH 4.48718
140 4BLW SAH 4.49827
141 4BLW AMP 4.49827
142 5ZQ4 AMP 4.50928
143 4KRI SAH 4.5584
144 5JJR SAH 4.5584
145 6CGN DA 4.5584
146 3OU2 SAH 4.58716
147 4TQG NDP 4.64396
148 1VBO MAN MAN MAN 4.69799
149 3C6K SPD 4.72441
150 3C6K MTA 4.72441
151 1ZOS MTM 4.78261
152 2CDU ADP 4.8433
153 3QOX SAH 4.8433
154 1GPE FAD 4.8433
155 5LX9 OLB 4.88599
156 5N26 CPT 4.94506
157 1LSS NAD 5
158 3WV8 ATP 5.04587
159 5MGZ SAH 5.08475
160 5MW4 5JU 5.08982
161 2ZE3 AKG 5.09091
162 6FS0 E4W 5.11628
163 3T3Z 9PL 5.12821
164 3SQP FAD 5.12821
165 4WQ2 3SU 5.20231
166 4RDH AMP 5.20833
167 4RDI ATP 5.20833
168 1Q1Y BB2 5.2356
169 5YJI SAH 5.28169
170 5YJI 8WO 5.28169
171 1W2D ADP 5.28302
172 2VDV SAM 5.28455
173 1R18 SAH 5.28634
174 1I1N SAH 5.30973
175 2A14 SAH 5.32319
176 1QAN SAH 5.32787
177 4IBF 1D5 5.42636
178 3H8V ATP 5.47945
179 5LOG SAH 5.5794
180 5F8F SFG 5.69801
181 1T36 ORN 5.69801
182 5CHR 4NC 5.83942
183 5FTW SAH 5.85938
184 5DNK SAH 5.98291
185 1V59 NAD 5.98291
186 2DPM SAM 5.98592
187 5YJF 8WO 5.98592
188 5YJF SAH 5.98592
189 3KMR EQN 6.01504
190 5FUI APY 6.06061
191 4YUW 4JU 6.25
192 4YUW S4M 6.25
193 3GUZ PAF 6.25
194 6FDF SAH 6.28743
195 6DUB SAH 6.30631
196 3LST SAH 6.32184
197 3C3Y SAH 6.32911
198 4WGF HX2 6.34146
199 2OZ5 7XY 6.41892
200 1XTT U5P 6.48148
201 4POO SAM 6.5
202 3EYK EYK 6.50155
203 3PT9 SAH 6.55271
204 1FP1 SAH 6.55271
205 2P41 SAH 6.55738
206 1NW5 SAM 6.58307
207 2CHG ANP 6.63717
208 4UA3 COA 6.70103
209 5BW4 SAM 6.74157
210 1IA9 ANP 6.78571
211 5THZ SAH 6.83761
212 5W7R SAH 6.83761
213 2EJU SAH 6.83761
214 4Y9D NAI 6.88525
215 2PSJ CEI 6.89655
216 3EVG SAH 6.90909
217 1YXM ADE 6.93069
218 3KO0 TFP 6.93069
219 2HMT NAI 6.94444
220 5YEC ATP 7.05882
221 5U83 ZN8 7.07547
222 3P2E SAH 7.11111
223 4A6D SAM 7.12251
224 4RVG SAM 7.12251
225 4RVG TYD 7.12251
226 1UKG MMA 7.14286
227 3MQ2 SAH 7.33945
228 5ERG SAM 7.40741
229 5CUQ NSC 7.49064
230 4NEC SAH 7.57576
231 3PFG SAM 7.60456
232 3PFG TLO 7.60456
233 6C8R SAH 7.69231
234 4AZW SAM 7.69231
235 5X7Q GLC GLC GLC 7.69231
236 1XXA ARG 7.69231
237 1WVG APR 7.69231
238 6C8R EQV 7.69231
239 3NJQ NJQ 7.77202
240 6CB2 OLC 7.84983
241 3H2B SAH 7.88177
242 3TKY SAH 7.97721
243 3BGD SAH 8.07692
244 3BGD PM6 8.07692
245 2ZIF SAM 8.08081
246 3LCV SAM 8.18505
247 4E70 N7I 8.24742
248 4DCM SAM 8.26211
249 1LVL NAD 8.26211
250 1U2Z SAH 8.26211
251 3IHG FAD 8.26211
252 5D1R 56S 8.3682
253 2PXX SAH 8.37209
254 2UYQ SAM 8.3871
255 4RL4 PPV 8.49057
256 5OKL PAM 8.54701
257 2Q8G AZX 8.54701
258 4QYS PLR 8.54701
259 4CQM NAP 8.60656
260 1JQ3 AAT 8.78378
261 4YNU FAD 8.83191
262 2O07 MTA 8.88158
263 2O07 SPD 8.88158
264 3A25 SAM 8.9701
265 2DT9 THR 8.98204
266 2F2G HMH 9.04977
267 5XNC MTA 9.11681
268 6B92 SAH 9.18367
269 154L NAG NAG NAG 9.18919
270 2CB8 MYA 9.1954
271 4KIB SAH 9.40171
272 4ZTD ALA GLY ALA GLY ALA 9.48617
273 4XR8 MAL 9.54774
274 2AOT SAH 9.58904
275 1JQD SAH 9.58904
276 1JQD HSM 9.58904
277 3JWH SAH 9.67742
278 1VE3 SAM 9.69163
279 5ULP KB1 9.70149
280 2YX1 SFG 9.82143
281 5X20 AOT 9.9359
282 5L95 AMP 10
283 4KXQ APR 10
284 3BXO SAM 10.0418
285 2YVJ NAI 10.0917
286 5N5D SAM 10.177
287 1ZEM NAD 10.3053
288 4HNN LYS 10.4046
289 6C5B SAH 10.5572
290 6GFK SAH 10.757
291 4DMG SAM 11.1111
292 5E8J SAH 11.3636
293 6BR9 6OU 11.396
294 1ZGA SAH 11.4846
295 1LQY BB2 11.9565
296 5WP4 SAH 11.9658
297 1TZJ A3B 12.1302
298 5GVR LMR 12.3932
299 2OKL BB2 12.4324
300 5GWX SAR 12.5356
301 5GWX SAM 12.5356
302 5HJM MTA 12.5356
303 4YMH SAH 12.9167
304 5T67 JHZ 13.1054
305 3FZG SAM 13.5
306 1LNX URI 13.5802
307 5C1M OLC 13.6
308 4OBW SAM 13.6187
309 3FPF MTA 13.7584
310 3FPF TNA 13.7584
311 6ECT SAM 14.0187
312 1DL5 SAH 14.1956
313 2BHW XAT 14.2241
314 2BHW NEX 14.2241
315 1I9G SAM 14.2857
316 6GKV SAH 14.5299
317 5JE0 AZ8 14.5749
318 5JE0 SAH 14.5749
319 5UFN SAH 14.7059
320 4PNE SAH 15.2318
321 3GCZ SAM 15.2482
322 3GWZ SAH 15.4472
323 3GXO SAH 15.4472
324 5ZZA LAB 15.7025
325 6BR8 6OU 15.873
326 6BR8 PGV 15.873
327 4XUC 43G 16.055
328 4XUC SAM 16.055
329 1JG3 ADN 16.1702
330 2WA2 SAM 16.3043
331 5GM1 SAH 16.835
332 5E1M SAH 17.0124
333 5E1M PRO PRO LYS ARG ILE ALA 17.0124
334 3Q87 SAM 17.0588
335 3T7S SAM 17.1642
336 4R6W PC 17.4419
337 4R6W SAH 17.4419
338 2PWY SAH 17.8295
339 1XDS SAM 17.9487
340 6F5Z SAH 18.1818
341 1QZZ SAM 18.5185
342 5Z84 CHD 18.6441
343 4KRG SAH 18.8034
344 5FA8 SAM 19.2547
345 2HNK SAH 20.0837
346 1P1C SAH 20.1005
347 1Z3C SA8 20.8054
348 3A27 SAM 20.9559
349 1XCL SAH 21.2766
350 4GQB 0XU 22.7273
351 43CA NPO 23.0089
352 2XVM SAH 23.1156
353 5FA5 MTA 25
354 1L3I SAH 25.5208
355 3MB5 SAM 25.8824
356 5C2N NAG 29.1667
357 3HVJ 705 35.2941
358 4B1W LAB 43.75
359 4LWP SAH 44.4444
360 5DXA SFG 48.1375
361 5DX1 SFG 48.1375
362 5DX0 SFG 48.1375
363 6ARJ SAH 48.1375
364 6ARJ BW4 48.1375
365 5DWQ SFG 48.1375
366 5DX8 SFG 48.1375
Pocket No.: 3; Query (leader) PDB : 4Y30; Ligand: 49L; Similar sites found with APoc: 42
This union binding pocket(no: 3) in the query (biounit: 4y30.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 4HBM 0Y7 None
2 3C3D FO1 1.92926
3 6EYT UDP 2.14067
4 5N0O SAM 2.2792
5 4OAV ACP 2.2792
6 5YAS FAC 2.33463
7 1UOU CMU 2.5641
8 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.72109
9 5ZI7 GLU 3.1339
10 2YGM GLA NAG GAL FUC 3.1339
11 1TPY 16A 3.13589
12 4CFS HQD 3.13589
13 4O4Z N2O 3.24675
14 2HIM ASN 3.4188
15 2QGI UDP 3.62903
16 4P87 4NP 3.7037
17 1TV5 N8E 4.5584
18 1RL4 BRR 4.78723
19 2A9W GA9 4.92424
20 5ZQS XYP 5.12821
21 5LY2 OGA 5.41311
22 2WPB ZZI 5.41311
23 1GPJ CIT 5.41311
24 5X8I SQZ 5.49133
25 1H8P PC 5.50459
26 4QAR ADE 5.97015
27 4DOO DAO 6.82927
28 3ZF8 GDP 6.88525
29 2JBM SRT 7.02341
30 5X7Q GLC GLC GLC GLC 7.69231
31 3F70 MLZ 7.97721
32 2O1V ADP 8.83191
33 5DQW ADP 9.00474
34 2Z7R STU 9.03427
35 4NB5 2JT 9.35672
36 5I8F ML1 9.69697
37 2D4V FLC 10.8262
38 4O08 PO6 11.215
39 4ZXA H8N 12.5
40 5T67 SAH 13.1054
41 1FX8 BOG 14.2349
42 6D1U MAL 35
Pocket No.: 4; Query (leader) PDB : 4Y30; Ligand: SAH; Similar sites found with APoc: 54
This union binding pocket(no: 4) in the query (biounit: 4y30.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 1RV1 IMZ None
2 1TUK PGM None
3 1SQK LAR 1.4245
4 5UIJ TYD 1.4245
5 6CFC BLG 1.4245
6 4ZZE GLC GLC GLC 1.7094
7 1NAA 6FA 1.7094
8 1NAA ABL 1.7094
9 2CDC XYS 1.7094
10 2YG3 FAD 1.9943
11 4Z24 FAD 1.9943
12 5N0O HSE 2.2792
13 2AJH MET 2.55102
14 4M8D 23J 2.6616
15 4M3P HCS 2.849
16 4DE3 DN8 3.04183
17 4WZ6 ATP 3.10345
18 5ZI7 GLU 3.1339
19 2YGM GLA NAG GAL FUC 3.1339
20 1H70 CIR 3.92157
21 5U8U FAD 4.2735
22 6H3O FAD 4.2735
23 3ATY FMN 4.5584
24 4MIG G3F 4.5584
25 1RL4 BRR 4.78723
26 1WDK N8E 4.8433
27 4CSD MFU 5.14706
28 3KP6 SAL 5.29801
29 2WPB ZZI 5.41311
30 1GPJ CIT 5.41311
31 4IBF 1D5 5.42636
32 3KIF GDL 5.66038
33 5BJX NAD 5.69801
34 5BJX UDP 5.69801
35 1XF1 CIT 6.55271
36 1ZK7 FAD 6.55271
37 2IID PHE 6.55271
38 2IID FAD 6.55271
39 1W8S FBP 6.84411
40 2WOR 2AN 7
41 1UKG MMA 7.14286
42 2WH8 II2 7.40741
43 3VMG 9CA 7.82609
44 3EW2 BTN 8.14815
45 1RP0 AHZ 8.4507
46 2RAB NAD 8.54701
47 2RAB FAD 8.54701
48 4YNU FAD 8.83191
49 2Z7R STU 9.03427
50 2E27 AB0 10.9244
51 3ELW SAM 11.3333
52 6BR9 6OU 11.396
53 2HPL ASP ASP LEU TYR GLY 14
54 6BR8 6OU 15.873
APoc FAQ
Feedback