Receptor
PDB id Resolution Class Description Source Keywords
2h2j 2.45 Å EC: 2.1.1.127 STRUCTURE OF RUBISCO LSMT BOUND TO SINEFUNGIN AND MONOMETHYL PISUM SATIVUM SET DOMAIN PROTEIN LYSINE METHYLTRANSFERASE TRANSFERASE
Ref.: CATALYTIC ROLES FOR CARBON-OXYGEN HYDROGEN BONDING DOMAIN LYSINE METHYLTRANSFERASES. J.BIOL.CHEM. V. 281 19280 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLZ A:900;
B:901;
C:902;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
160.214 C7 H16 N2 O2 CNCCC...
SFG A:800;
B:801;
C:802;
 Valid;
Valid;
Valid;
 none;
none;
none;
 Kd = 4.2 uM
381.387 C15 H23 N7 O5 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2H21 2.45 Å EC: 2.1.1.127 STRUCTURE OF RUBISCO LSMT BOUND TO ADOMET PISUM SATIVUM SET DOMAIN PROTEIN LYSINE METHYLTRANSFERASE TRANSFERASE
Ref.: CATALYTIC ROLES FOR CARBON-OXYGEN HYDROGEN BONDING DOMAIN LYSINE METHYLTRANSFERASES. J.BIOL.CHEM. V. 281 19280 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2H21 Kd = 0.29 uM SAM C15 H22 N6 O5 S C[S@@+](CC....
2 2H23 Kd = 21.2 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 2H2J Kd = 4.2 uM SFG C15 H23 N7 O5 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2H21 Kd = 0.29 uM SAM C15 H22 N6 O5 S C[S@@+](CC....
2 2H23 Kd = 21.2 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 2H2J Kd = 4.2 uM SFG C15 H23 N7 O5 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2H21 Kd = 0.29 uM SAM C15 H22 N6 O5 S C[S@@+](CC....
2 2H23 Kd = 21.2 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 2H2J Kd = 4.2 uM SFG C15 H23 N7 O5 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MLZ; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 MLZ 1 1
2 ALY 0.615385 0.763158
3 HRG 0.575 0.692308
4 M3L 0.552632 0.744186
5 DLY 0.527778 0.787879
6 API 0.515152 0.611111
7 LYS 0.513514 0.764706
8 9VF 0.510204 0.607843
9 NLE 0.5 0.705882
10 MLY 0.5 0.842105
11 5CT 0.5 0.717949
12 0TF 0.489362 0.658537
13 SHR 0.489362 0.684211
14 2YG 0.479167 0.658537
15 2MR 0.478261 0.725
16 NMM 0.477273 0.74359
17 CIR 0.475 0.634146
18 ORN 0.472222 0.757576
19 ILO 0.465116 0.736842
20 ARG 0.463415 0.65
21 DAR 0.463415 0.65
22 9YT 0.461538 0.675
23 REZ 0.446809 0.609756
24 NVA 0.428571 0.647059
25 3AR 0.425532 0.666667
26 DA2 0.425532 0.666667
27 NOT 0.422222 0.609756
28 VIO 0.416667 0.682927
29 MEQ 0.414634 0.641026
30 4JK 0.413043 0.658537
31 VUR 0.413043 0.675
32 JM2 0.408163 0.775
33 WT2 0.404255 0.625
34 DAB 0.4 0.685714
35 2YJ 0.4 0.658537
Ligand no: 2; Ligand: SFG; Similar ligands found: 281
No: Ligand ECFP6 Tc MDL keys Tc
1 SFG 1 1
2 0UM 0.689655 0.887324
3 SAI 0.654762 0.940298
4 SA8 0.642857 0.9
5 SAH 0.635294 0.954545
6 EEM 0.62069 0.875
7 5X8 0.619048 0.924242
8 S7M 0.606742 0.875
9 ADN 0.597222 0.850746
10 RAB 0.597222 0.850746
11 XYA 0.597222 0.850746
12 5CD 0.594595 0.863636
13 N37 0.582524 0.940298
14 5N5 0.581081 0.850746
15 62X 0.574468 0.84
16 A4D 0.573333 0.850746
17 K15 0.568421 0.863014
18 DTA 0.564103 0.84058
19 6RE 0.560976 0.833333
20 SAM 0.555556 0.875
21 EP4 0.551282 0.802817
22 KB1 0.55102 0.887324
23 M2T 0.544304 0.780822
24 SMM 0.537634 0.84
25 MTA 0.5375 0.826087
26 KYE 0.534653 0.851351
27 NWW 0.532468 0.84375
28 LMS 0.53012 0.678571
29 ZAS 0.53012 0.816901
30 A 0.53012 0.77027
31 AMP 0.53012 0.77027
32 J7C 0.529412 0.84507
33 KG4 0.52809 0.776316
34 3DH 0.52439 0.826087
35 AMP MG 0.52381 0.780822
36 HZ2 0.52381 0.875
37 GJV 0.523256 0.821918
38 SON 0.522727 0.813333
39 0XU 0.522222 0.938462
40 SSA 0.521277 0.697674
41 SRP 0.521277 0.813333
42 AOC 0.517647 0.826087
43 CA0 0.516854 0.776316
44 5AL 0.516129 0.786667
45 AMO 0.515464 0.813333
46 DSZ 0.515464 0.717647
47 GSU 0.515152 0.738095
48 KXW 0.514286 0.9
49 KH3 0.514286 0.851351
50 45A 0.511628 0.75
51 A2D 0.511628 0.75
52 A3N 0.511628 0.814286
53 ABM 0.511628 0.75
54 A5A 0.510638 0.682353
55 5CA 0.510417 0.697674
56 SRA 0.505882 0.730769
57 S4M 0.505747 0.792208
58 AN2 0.505618 0.74026
59 A3S 0.505618 0.895522
60 A7D 0.505618 0.882353
61 GAP 0.505376 0.776316
62 OZP 0.504673 0.9
63 A12 0.5 0.766234
64 EU9 0.5 0.7875
65 M33 0.5 0.74026
66 AP2 0.5 0.766234
67 BA3 0.5 0.75
68 Y3J 0.5 0.80303
69 KAA 0.5 0.712644
70 LSS 0.5 0.681818
71 DSH 0.5 0.871429
72 V2G 0.5 0.759494
73 LAD 0.5 0.818182
74 54H 0.5 0.666667
75 ADX 0.5 0.678571
76 HY8 0.5 0.875
77 VMS 0.5 0.666667
78 ME8 0.49505 0.775
79 SXZ 0.49505 0.875
80 AHX 0.494949 0.759494
81 53H 0.494845 0.659091
82 DAL AMP 0.494845 0.786667
83 TSB 0.494845 0.674419
84 G5A 0.494624 0.697674
85 50T 0.494505 0.74026
86 ADP 0.494382 0.75
87 B4P 0.494382 0.75
88 5AS 0.494382 0.640449
89 AP5 0.494382 0.75
90 Q2M 0.490909 0.875
91 Q34 0.490909 0.851351
92 F0P 0.490909 0.9
93 GEK 0.489796 0.913043
94 8QN 0.489796 0.786667
95 8LH 0.489583 0.766234
96 V47 0.489583 0.923077
97 ADP BEF 0.488889 0.77027
98 AT4 0.488889 0.721519
99 ADP MG 0.488889 0.77027
100 5AD 0.486842 0.828125
101 PAJ 0.484848 0.728395
102 52H 0.484536 0.659091
103 8LE 0.484211 0.75641
104 APC MG 0.483871 0.773333
105 AU1 0.483516 0.730769
106 MAO 0.483146 0.782051
107 NEC 0.482759 0.797101
108 A3G 0.482759 0.882353
109 3AM 0.482353 0.733333
110 7D7 0.480519 0.794118
111 TXA 0.480392 0.766234
112 NB8 0.480392 0.782051
113 NVA LMS 0.48 0.693182
114 QA7 0.479592 0.75641
115 8LQ 0.479592 0.789474
116 ATF 0.479167 0.721519
117 ACP 0.478261 0.753247
118 HEJ 0.478261 0.75
119 H1Q 0.478261 0.76
120 ATP 0.478261 0.75
121 A3T 0.478261 0.852941
122 Q2P 0.478261 0.851351
123 Q2V 0.477876 0.887324
124 U4Y 0.477064 0.913043
125 7MD 0.476636 0.775
126 YSA 0.47619 0.697674
127 XAH 0.47619 0.775
128 9ZA 0.474747 0.746835
129 9ZD 0.474747 0.746835
130 PRX 0.473118 0.753247
131 APR 0.473118 0.773333
132 AQP 0.473118 0.75
133 5FA 0.473118 0.75
134 AR6 0.473118 0.773333
135 APC 0.473118 0.766234
136 NWQ 0.470588 0.818182
137 WAQ 0.470588 0.815789
138 4AD 0.47 0.802632
139 NSS 0.47 0.697674
140 F2R 0.469565 0.756098
141 RBY 0.468085 0.789474
142 A5D 0.468085 0.84058
143 AD9 0.468085 0.730769
144 ADV 0.468085 0.789474
145 ATP MG 0.468085 0.77027
146 ADP PO3 0.468085 0.77027
147 AGS 0.468085 0.7125
148 MHZ 0.467391 0.782051
149 FA5 0.466667 0.813333
150 PTJ 0.466019 0.7375
151 N5O 0.465909 0.867647
152 00A 0.465347 0.746835
153 D3Y 0.464646 0.869565
154 8X1 0.464646 0.693182
155 BEF ADP 0.463158 0.75
156 VRT 0.463158 0.871429
157 GA7 0.462963 0.74359
158 LEU LMS 0.460784 0.709302
159 S8M 0.46 0.859155
160 OOB 0.46 0.786667
161 QXP 0.46 0.682353
162 ACQ 0.458333 0.753247
163 T99 0.458333 0.721519
164 TAT 0.458333 0.721519
165 ANP 0.458333 0.730769
166 J4G 0.456311 0.826667
167 B5V 0.456311 0.766234
168 N5A 0.455556 0.865672
169 HQG 0.454545 0.763158
170 AAT 0.453608 0.847222
171 2AM 0.453488 0.723684
172 8PZ 0.45283 0.697674
173 FYA 0.451923 0.786667
174 YLC 0.451327 0.797468
175 DLL 0.45098 0.786667
176 A3P 0.450549 0.746667
177 YLP 0.45045 0.777778
178 A22 0.45 0.74026
179 ARG AMP 0.449541 0.765432
180 ANP MG 0.44898 0.74026
181 VO4 ADP 0.44898 0.730769
182 ALF ADP 0.44898 0.7125
183 2VA 0.446809 0.828571
184 QXG 0.446602 0.674419
185 3UK 0.446602 0.776316
186 OAD 0.446602 0.776316
187 OZV 0.445545 0.75
188 80F 0.445378 0.73494
189 6YZ 0.444444 0.753247
190 IOT 0.443478 0.768293
191 9SN 0.443396 0.7375
192 P5A 0.442308 0.704545
193 R2V 0.442308 0.682353
194 PR8 0.442308 0.807692
195 7D5 0.44186 0.714286
196 A1R 0.441176 0.769231
197 7C5 0.440367 0.797297
198 TT8 0.44 0.926471
199 YLA 0.439655 0.777778
200 YLB 0.438596 0.777778
201 9K8 0.438095 0.655556
202 1ZZ 0.438095 0.753086
203 3OD 0.438095 0.776316
204 BIS 0.438095 0.725
205 NVA 2AD 0.4375 0.859155
206 JNT 0.436893 0.753247
207 MAP 0.435644 0.7125
208 KY2 0.435644 0.824324
209 MYR AMP 0.433962 0.753086
210 NAI 0.433628 0.725
211 SO8 0.43299 0.816901
212 A6D 0.432692 0.74359
213 9X8 0.432692 0.734177
214 5SV 0.431373 0.7375
215 25A 0.431373 0.75
216 WSA 0.429825 0.705882
217 TYM 0.429825 0.813333
218 3NZ 0.428571 0.833333
219 LAQ 0.428571 0.753086
220 A3R 0.427184 0.769231
221 ADQ 0.427184 0.753247
222 KYB 0.427184 0.824324
223 7MC 0.426087 0.756098
224 8Q2 0.426087 0.674157
225 B5M 0.425926 0.75641
226 B5Y 0.425926 0.75641
227 48N 0.424779 0.759494
228 LPA AMP 0.424779 0.753086
229 JB6 0.424528 0.746835
230 PPS 0.424242 0.658824
231 AYB 0.423729 0.768293
232 K2H 0.423077 0.780822
233 PAP 0.42268 0.736842
234 OVE 0.422222 0.696203
235 B1U 0.422018 0.623656
236 3AD 0.421687 0.863636
237 KY5 0.420561 0.871429
238 4YB 0.419643 0.72093
239 CMP 0.419355 0.753425
240 2BA 0.419355 0.743243
241 A2P 0.419355 0.733333
242 ADP BMA 0.419048 0.753247
243 4UV 0.418182 0.75641
244 ALF ADP 3PG 0.417391 0.75
245 AHZ 0.415929 0.731707
246 QQX 0.41573 0.670886
247 K2K 0.415094 0.859155
248 NX8 0.414141 0.859155
249 AP0 0.413793 0.695122
250 KL2 0.413793 0.697368
251 L3W 0.413793 0.74359
252 K3K 0.412844 0.780822
253 ATP A 0.412844 0.76
254 ATP A A A 0.412844 0.76
255 NWZ 0.412371 0.84507
256 KOY 0.412281 0.857143
257 RP1 0.411111 0.705128
258 QQY 0.411111 0.679487
259 ACK 0.411111 0.716216
260 SP1 0.411111 0.705128
261 4UU 0.410714 0.75641
262 AFH 0.410714 0.728395
263 TXD 0.408696 0.725
264 DND 0.408696 0.766234
265 7D3 0.408602 0.696203
266 CC5 0.407407 0.876923
267 25L 0.407407 0.74026
268 TAD 0.40708 0.75
269 DQV 0.40708 0.763158
270 K3E 0.405405 0.77027
271 AMP DBH 0.405405 0.753247
272 OMR 0.405172 0.743902
273 TXE 0.405172 0.725
274 AF3 ADP 3PG 0.405172 0.75
275 MTP 0.404762 0.72973
276 K38 0.40367 0.780822
277 KY8 0.401869 0.847222
278 N0B 0.401575 0.777778
279 V3L 0.4 0.773333
280 YLY 0.4 0.768293
281 KMQ 0.4 0.74359
Similar Ligands (3D)
Ligand no: 1; Ligand: MLZ; Similar ligands found: 253
No: Ligand Similarity coefficient
1 HOC 1.0000
2 NPI 0.9698
3 5XA 0.9644
4 LYN 0.9642
5 IAR 0.9631
6 AG2 0.9624
7 SLZ 0.9619
8 EXY 0.9604
9 DHH 0.9579
10 KQY 0.9578
11 7C3 0.9572
12 HPN 0.9553
13 OCA 0.9545
14 GGB 0.9525
15 NNH 0.9520
16 SHV 0.9507
17 ACA 0.9494
18 6HN 0.9489
19 2FM 0.9484
20 FXY 0.9478
21 UN1 0.9452
22 TEG 0.9451
23 CLT 0.9445
24 KNA 0.9445
25 DKA 0.9445
26 N6C 0.9437
27 PBN 0.9420
28 7XA 0.9410
29 OOG 0.9393
30 8AC 0.9386
31 D10 0.9373
32 ODI 0.9357
33 ZZU 0.9354
34 DDW 0.9347
35 SPD 0.9338
36 DDK 0.9331
37 ENW 0.9323
38 OYA 0.9321
39 PML 0.9311
40 CUW 0.9311
41 HAR 0.9310
42 MHN 0.9308
43 HPL 0.9305
44 AHL 0.9301
45 011 0.9295
46 NSD 0.9295
47 8SZ 0.9293
48 FB6 0.9292
49 3OL 0.9289
50 3H2 0.9285
51 N8C 0.9284
52 26P 0.9281
53 ONH 0.9278
54 4DI 0.9268
55 OC9 0.9265
56 NWH 0.9254
57 ABH 0.9249
58 7OD 0.9237
59 3OM 0.9229
60 GVA 0.9215
61 NMH 0.9196
62 HC4 0.9190
63 DIR 0.9182
64 E8U 0.9180
65 O45 0.9177
66 11C 0.9172
67 5OY 0.9161
68 DIA 0.9154
69 0L1 0.9152
70 F98 0.9150
71 2NP 0.9147
72 1N5 0.9145
73 NTU 0.9137
74 XOG 0.9133
75 MF3 0.9128
76 6Q3 0.9120
77 S8V 0.9118
78 GRQ 0.9115
79 M1T 0.9111
80 6XA 0.9103
81 I38 0.9099
82 AE3 0.9097
83 ENV 0.9095
84 GLN 0.9094
85 AKG 0.9086
86 SSB 0.9084
87 M3P 0.9080
88 JX7 0.9078
89 HGA 0.9064
90 9J6 0.9064
91 MET 0.9054
92 MSE 0.9050
93 ONL 0.9044
94 4TB 0.9041
95 ZE7 0.9031
96 DAV 0.9028
97 L06 0.9028
98 GLU 0.9023
99 NF3 0.9022
100 650 0.9019
101 DHC 0.9018
102 DHM 0.9016
103 KDG 0.9015
104 BHL 0.9013
105 HNE 0.9011
106 N9J 0.9010
107 3GZ 0.9008
108 TCA 0.9003
109 AHN 0.9003
110 13P 0.9000
111 7BC 0.8985
112 KMT 0.8978
113 37Z 0.8978
114 CXP 0.8966
115 EGV 0.8964
116 LPB 0.8960
117 PBA 0.8960
118 OHJ 0.8958
119 NYL 0.8955
120 264 0.8955
121 N4B 0.8946
122 PRA 0.8944
123 OGA 0.8943
124 LPA 0.8933
125 Z70 0.8933
126 16D 0.8927
127 5AB 0.8927
128 P80 0.8922
129 HCI 0.8921
130 3YP 0.8910
131 OCT 0.8906
132 B3U 0.8904
133 BNF 0.8902
134 MVH 0.8902
135 RGP 0.8902
136 IVL 0.8900
137 HPO 0.8899
138 ALE 0.8899
139 QBM 0.8894
140 DA3 0.8891
141 2IT 0.8889
142 K6V 0.8889
143 DLT 0.8881
144 GLY GLY GLY 0.8880
145 5PV 0.8875
146 HL4 0.8874
147 64Z 0.8874
148 XIZ 0.8867
149 LUQ 0.8865
150 CIY 0.8858
151 TYR 0.8857
152 DNN 0.8853
153 KAP 0.8853
154 3KJ 0.8851
155 PG0 0.8844
156 B3M 0.8844
157 XRX 0.8844
158 Q9Z 0.8842
159 URO 0.8840
160 DZA 0.8838
161 1HS 0.8836
162 FOM 0.8836
163 HL6 0.8834
164 2JJ 0.8833
165 MHO 0.8833
166 QFJ 0.8831
167 4ZD 0.8816
168 S2G 0.8814
169 SB7 0.8807
170 E4P 0.8804
171 LT1 0.8801
172 2HG 0.8798
173 ENO 0.8797
174 Q06 0.8793
175 S2C 0.8781
176 RA7 0.8779
177 49F 0.8778
178 PH3 0.8774
179 C9M 0.8773
180 5TO 0.8771
181 J9Y 0.8767
182 B40 0.8765
183 KPC 0.8758
184 MES 0.8756
185 GUA 0.8754
186 4CF 0.8747
187 N7I 0.8745
188 DE5 0.8743
189 ISA 0.8736
190 FER 0.8730
191 58X 0.8727
192 MED 0.8722
193 4BF 0.8721
194 OKG 0.8720
195 PO6 0.8718
196 263 0.8717
197 XDE 0.8717
198 1H1 0.8716
199 EOU 0.8713
200 MSL 0.8710
201 ASF 0.8708
202 268 0.8703
203 55D 0.8698
204 9GB 0.8696
205 PAU 0.8696
206 X1R 0.8692
207 HJD 0.8692
208 LTL 0.8689
209 HIC 0.8684
210 DXP 0.8683
211 4TP 0.8681
212 TYC 0.8681
213 GOE 0.8680
214 NLP 0.8676
215 DTY 0.8670
216 SOL 0.8667
217 FHC 0.8664
218 SME 0.8658
219 7UC 0.8657
220 MPJ 0.8656
221 37E 0.8654
222 MTL 0.8647
223 2J3 0.8638
224 SZ7 0.8638
225 258 0.8636
226 S2P 0.8636
227 CXH 0.8630
228 AZM 0.8626
229 MPH 0.8623
230 PRO GLY 0.8623
231 PMV 0.8620
232 CS2 0.8620
233 PTU 0.8615
234 0VT 0.8613
235 RP3 0.8610
236 A51 0.8607
237 PUW 0.8603
238 XRS 0.8600
239 KPV 0.8598
240 BHU 0.8598
241 GJK 0.8589
242 TL6 0.8585
243 1X4 0.8583
244 GO2 0.8581
245 GLR 0.8578
246 1SH 0.8574
247 PFF 0.8570
248 EN1 0.8570
249 MPV 0.8550
250 RP5 0.8549
251 U4G 0.8537
252 A5P 0.8520
253 2ED 0.8519
Ligand no: 2; Ligand: SFG; Similar ligands found: 4
No: Ligand Similarity coefficient
1 GDP 0.8795
2 CUU 0.8758
3 GTP 0.8645
4 CTP 0.8566
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2H21; 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: 1) in the query (biounit: 2h21.bio4) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2H21; 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: 2h21.bio4) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2H21; 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: 3) in the query (biounit: 2h21.bio4) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2H21; 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: 2h21.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2H21; 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: 2h21.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2H21; 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: 2h21.bio3) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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