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Receptor
PDB id Resolution Class Description Source Keywords
4KRG 1.68 Å EC: 2.-.-.- SEMET HAEMONCHUS CONTORTUS PHOSPHOETHANOLAMINE N-METHYLTRANS IN COMPLEX WITH PHOSPHOETHANOLAMINE AND S-ADENOSYLHOMOCYSTE HAEMONCHUS CONTORTUS METHYLTRANSFERASE PHOSPHOETHANOLAMINE S-ADENOSYLMETHIONINETRANSFERASE
Ref.: EVOLUTION OF STRUCTURE AND MECHANISTIC DIVERGENCE I DI-DOMAIN METHYLTRANSFERASES FROM NEMATODE PHOSPHOC BIOSYNTHESIS. STRUCTURE V. 21 1778 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OPE A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
141.063 C2 H8 N O4 P C(COP...
BOG A:504;
B:503;
B:504;
A:503;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
292.369 C14 H28 O6 CCCCC...
SAH B:502;
A:502;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
NA B:505;
A:505;
Invalid;
Invalid;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KRG 1.68 Å EC: 2.-.-.- SEMET HAEMONCHUS CONTORTUS PHOSPHOETHANOLAMINE N-METHYLTRANS IN COMPLEX WITH PHOSPHOETHANOLAMINE AND S-ADENOSYLHOMOCYSTE HAEMONCHUS CONTORTUS METHYLTRANSFERASE PHOSPHOETHANOLAMINE S-ADENOSYLMETHIONINETRANSFERASE
Ref.: EVOLUTION OF STRUCTURE AND MECHANISTIC DIVERGENCE I DI-DOMAIN METHYLTRANSFERASES FROM NEMATODE PHOSPHOC BIOSYNTHESIS. STRUCTURE V. 21 1778 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4KRG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 4KRG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4KRG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OPE; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 OPE 1 1
2 PC 0.518519 0.680851
3 EFS 0.5 0.605263
4 1SH 0.464286 0.853659
5 GPE 0.4 0.853659
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KRG; Ligand: SAH; Similar sites found with APoc: 662
This union binding pocket(no: 1) in the query (biounit: 4krg.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4HXY NDP 0.913242
2 5AWQ GLC GLC 1.07296
3 3QJ4 FAD 1.16959
4 2JK0 ASP 1.23077
5 5HSA FAS 1.28755
6 4Z24 FAD 1.28755
7 2VVM FAD 1.28755
8 3NTD FAD 1.28755
9 4MIG G3F 1.28755
10 2C5A GDC 1.31926
11 2C5A NAD 1.31926
12 5GSN FAD 1.3245
13 5GSN NAP 1.3245
14 1SB8 NAD 1.42045
15 1SB8 UD2 1.42045
16 1RJD SAM 1.49701
17 4D5G TPP 1.50215
18 4D5G FAD 1.50215
19 3GD4 FAD 1.50215
20 3GD4 NAD 1.50215
21 1REO FAD 1.50215
22 1GTE FAD 1.50215
23 6GAS FAD 1.51057
24 2PZM NAD 1.51515
25 2PZM UDP 1.51515
26 4DMG SAM 1.52672
27 1VQW FAD 1.53173
28 3K1X DBX 1.53846
29 2GV8 FAD 1.566
30 2GVC FAD 1.566
31 4RSL FAD 1.57303
32 2EG5 SAH 1.6129
33 3GMB FAD 1.68675
34 3L9W AMP 1.69492
35 3L9W GSH 1.69492
36 3H8V ATP 1.71233
37 2YVF NAD 1.71569
38 2YVF FAD 1.71569
39 3PT9 SAH 1.71674
40 1X87 NAD 1.71674
41 2JB2 FAD 1.71674
42 2JB2 PHE 1.71674
43 6ER9 NAP 1.71674
44 6ER9 FAD 1.71674
45 4B63 FAD 1.71674
46 4B63 NAP 1.71674
47 4B63 ORN 1.71674
48 5XWV 8H6 1.71674
49 5XWV NDP 1.71674
50 5ZYN FAD 1.71674
51 3M6W SAM 1.72414
52 5MB4 NDG 1.74564
53 4UP4 GAL NAG 1.74564
54 2WK1 SAH 1.77305
55 5L95 AMP 1.79211
56 6CEP NAD 1.79641
57 6CEP OXM 1.79641
58 9LDB NAD 1.80723
59 9LDT NAD 1.80723
60 6F7L FAD 1.80995
61 5HXI 5HN 1.84697
62 5HXI FAD 1.84697
63 1U2Z SAH 1.84758
64 4EUE NAI 1.91388
65 2ZWA SAH 1.93133
66 4YNU LGC 1.93133
67 5BRT FAD 1.93133
68 5BRT CH9 1.93133
69 3X0V FAD 1.93133
70 1EU1 MGD 1.93133
71 6H3O FAD 1.93133
72 4USQ FAD 1.93906
73 1RKX NAD 1.96078
74 2O07 SPD 1.97368
75 2O07 MTA 1.97368
76 2YG3 FAD 1.98676
77 2CDU FAD 1.99115
78 3KLJ FAD 2.07792
79 5OJ7 AR6 2.0979
80 4JSR 1NQ 2.10526
81 5NUE NAD 2.10843
82 1G0N PHH 2.12014
83 1G0N NDP 2.12014
84 4BJZ P3A 2.12264
85 4BJZ FAD 2.12264
86 1Z6Z NAP 2.12766
87 3X0D SAH 2.14592
88 2NVK FAD 2.14592
89 2JHP SAH 2.14592
90 4AP3 NAP 2.14592
91 4AP3 FAD 2.14592
92 3E1T FAD 2.14592
93 2QA1 FAD 2.14592
94 3FPZ AHZ 2.14724
95 6AIN FAD 2.15311
96 5MPT SAH 2.17391
97 5J60 FAD 2.1875
98 5ME4 HP4 2.18978
99 5O42 NAD 2.18978
100 5O42 9JW 2.18978
101 5O42 BGC 2.18978
102 5E9W SAH 2.24359
103 4RPL FAD 2.25564
104 4RPL 3UC 2.25564
105 1ELI PYC 2.31362
106 1N2X SAM 2.32558
107 1Z3C SA8 2.34899
108 4JNA FAD 2.35294
109 1UWK NAD 2.36052
110 1UWK URO 2.36052
111 2Q28 ADP 2.36052
112 3UCL CYH 2.36052
113 3UCL NAP 2.36052
114 3UCL FAD 2.36052
115 3EYA FAD 2.36052
116 2IZ1 ATR 2.36052
117 2GJP MAL 2.36052
118 4HA6 FAD 2.36052
119 1YY5 FAD 2.36052
120 1H82 GZZ 2.36052
121 1LVW TYD 2.37288
122 4GLL NAD 2.37389
123 2EJU SAH 2.38095
124 1E1M FAD 2.3913
125 1E1M NAP 2.3913
126 2EWM NAD 2.40964
127 2JAH NDP 2.42915
128 2VDV SAM 2.43902
129 5BUK FAD 2.44444
130 5X62 SAH 2.46305
131 5YJI SAH 2.46479
132 5YJI 8WO 2.46479
133 1RP0 AHZ 2.46479
134 3GCZ SAM 2.48227
135 2BGM NAJ 2.51799
136 3A4V PYR 2.52366
137 3A4V NAD 2.52366
138 1BDB NAD 2.52708
139 2WA2 SAM 2.53623
140 3K6V CIT 2.54237
141 1XCL SAH 2.55319
142 4D7E FAD 2.5641
143 6D6Y SAH 2.57511
144 3S1S SAH 2.57511
145 1PN0 FAD 2.57511
146 1PN0 IPH 2.57511
147 4GUT FAD 2.57511
148 4GUS FAD 2.57511
149 4FWE FAD 2.57511
150 4HSU FAD 2.57511
151 2FR1 NDP 2.57511
152 2JJQ SAH 2.58824
153 3TKA SAM 2.59366
154 2PX8 SAH 2.60223
155 1JT2 FER 2.61194
156 5CUQ NSC 2.62172
157 3SSO SAH 2.6253
158 4UCI SAM 2.6506
159 4DCM SAM 2.66667
160 5K7U SAM 2.66667
161 6FP4 FAD 2.67559
162 6FP4 E1T 2.67559
163 1E3W NAD 2.68199
164 3BGD SAH 2.69231
165 3BGD PM6 2.69231
166 2AE2 PTO 2.69231
167 2AE2 NAP 2.69231
168 1E6W NAD 2.69231
169 1Q0S SAH 2.7027
170 3I53 SAH 2.71084
171 5KMS NAD 2.71605
172 5KMS FAD 2.71605
173 1XHC FAD 2.7248
174 3ABI NAD 2.73973
175 6BWL NAD 2.7439
176 3O03 NAP 2.74914
177 2WSB NAD 2.75591
178 1S7G APR 2.7668
179 1S7G NAD 2.7668
180 4C4A SAH 2.7897
181 2IID PHE 2.7897
182 2IID FAD 2.7897
183 2F5Z FAD 2.7897
184 5TS5 FAD 2.7897
185 6F97 FAD 2.7897
186 3UOY NAP 2.7897
187 3UOY FAD 2.7897
188 5J5Z FAD 2.7897
189 3ICT FAD 2.7897
190 3ICS FAD 2.7897
191 3ICR FAD 2.7897
192 2XVE FAD 2.80172
193 2XVF FAD 2.80172
194 4O08 PO6 2.80374
195 1WG8 SAM 2.80702
196 4CNK FAD 2.8133
197 1NJR XYL 2.8169
198 5NMX FAD 2.82353
199 5NMX NAP 2.82353
200 5IL1 SAM 2.83019
201 4A6D SAM 2.83286
202 2AG5 NAD 2.84553
203 1XKQ NDP 2.85714
204 1IM8 SAI 2.86885
205 1PR9 NAP 2.86885
206 3D3W NAP 2.86885
207 2RH4 EMO 2.88809
208 5ZI2 ADP 2.89855
209 5ZI2 NAD 2.89855
210 2UYQ SAM 2.90323
211 2GN4 UD1 2.90698
212 2GN4 NDP 2.90698
213 4X7Y SAH 2.91971
214 4TQK NAG 2.95567
215 1UUO ORO 2.95699
216 1UUO FMN 2.95699
217 1UUO BRF 2.95699
218 5XNC MTA 2.96496
219 2D3N GLC GLC GLC 3.00429
220 4JDR FAD 3.00429
221 3AXB FAD 3.00429
222 3AXB PRO 3.00429
223 1MO9 FAD 3.00429
224 1MO9 KPC 3.00429
225 2DKH FAD 3.00429
226 4MOP 2H5 3.00429
227 2DKH 3HB 3.00429
228 2XVM SAH 3.01508
229 1P1C SAH 3.01508
230 2BZG SAH 3.01724
231 5YF1 SFG 3.03867
232 5YF1 8V0 3.03867
233 2A14 SAH 3.04183
234 1XSE NDP 3.05085
235 1YBH FAD 3.05085
236 1ZBQ NAD 3.0581
237 1I1N SAH 3.09735
238 4NBW NAD 3.11284
239 3NDJ SAH 3.125
240 3NDJ JHZ 3.125
241 1EK6 UPG 3.16092
242 1EK6 NAI 3.16092
243 3FRH SAH 3.16206
244 2Q46 NAP 3.16206
245 4ZRN UPG 3.20513
246 4ZRN NAD 3.20513
247 1M2K APR 3.21285
248 4AZW SAM 3.21888
249 5JJR SAH 3.21888
250 1V59 FAD 3.21888
251 1V5F TPP 3.21888
252 1V5F FAD 3.21888
253 1V59 NAD 3.21888
254 4IV9 FAD 3.21888
255 1FL2 FAD 3.22581
256 3EVF SAH 3.2491
257 3EVF GTA 3.2491
258 4OPC FDA 3.31126
259 6BQ6 TER 3.32326
260 5X68 FAD 3.32481
261 3ELW SAM 3.33333
262 3ELW GP3 3.33333
263 1E5Q NDP 3.33333
264 4KWI 1TJ 3.42205
265 4KWI NAP 3.42205
266 1YQZ FAD 3.42466
267 2VVL FAD 3.43348
268 2UXR ICT 3.48259
269 1OLT SAM 3.50109
270 1R18 SAH 3.52423
271 3VC1 GST 3.52564
272 3VC1 SAH 3.52564
273 5ZW3 SAH 3.55556
274 2BZ1 TAU 3.57143
275 3LU1 NAD 3.57143
276 3SJU NDP 3.58423
277 1ZK4 NAP 3.58566
278 1ZK4 AC0 3.58566
279 6FDF SAH 3.59281
280 4FC7 COA 3.61011
281 4FC7 NAP 3.61011
282 1O6Z NAD 3.63036
283 4ONQ SFG 3.64146
284 2EFJ SAH 3.64583
285 1ZK7 FAD 3.64807
286 1FEC FAD 3.64807
287 2BRY FAD 3.64807
288 4TXI FAD 3.64807
289 3A25 SAM 3.65448
290 1YC5 NCA 3.65854
291 4BUZ OCZ 3.65854
292 4BUZ NAD 3.65854
293 4BUZ OAD 3.65854
294 1BXK NAD 3.66197
295 3QOX SAH 3.75587
296 5JCM NAD 3.7694
297 5JCM ISD 3.7694
298 5JCM FAD 3.7694
299 5FEU NAP 3.78007
300 5GT9 NAP 3.80228
301 5WUW NAP 3.83275
302 1G60 SAM 3.84615
303 2ZAT NAP 3.84615
304 1OAA OAA 3.861
305 2NYA MGD 3.86266
306 3TN7 NJP 3.89105
307 1WVG APR 3.89972
308 2P41 SAH 3.93443
309 4N49 SAM 3.97196
310 4X9M FAD 4.06699
311 3QWI NAP 4.07407
312 3QWI CUE 4.07407
313 1GZ6 NAI 4.07523
314 4MO2 FDA 4.07609
315 4MO2 FAD 4.07609
316 6DEN FAD 4.07725
317 6DEN TP9 4.07725
318 6DEN G8A 4.07725
319 4XQC NAD 4.07725
320 1G55 SAH 4.08163
321 2A8X FAD 4.09483
322 1EDO NAP 4.09836
323 4XUC SAM 4.12844
324 4XUC 43G 4.12844
325 5DLY 5D7 4.13534
326 5DLY SAH 4.13534
327 5W7K SAH 4.16667
328 5JAQ NAI 4.18719
329 3NYC IAR 4.19948
330 3NYC FAD 4.19948
331 1I2B USQ 4.20792
332 1I2B NAD 4.20792
333 1I2B UPG 4.20792
334 3LZW NAP 4.21687
335 1NFQ NAI 4.23077
336 5FFF NAP 4.28016
337 5FFF 5XC 4.28016
338 5Z75 NAD 4.28135
339 3LTW HLZ 4.28571
340 3G89 SAM 4.29185
341 4REP FAD 4.29185
342 4M52 FAD 4.29185
343 5FTW SAH 4.29688
344 3S5W FAD 4.31965
345 4FN4 NAD 4.33071
346 1T26 NAI 4.34783
347 1T26 GBD 4.34783
348 2A92 NAI 4.36137
349 3EVG SAH 4.36364
350 4YAC NAI 4.3771
351 4J56 FAD 4.38596
352 3O7W SAM 4.42177
353 3ML1 MGD 4.44444
354 3NUG NAD 4.45344
355 4ITU NAI 4.46097
356 4ITU 1HS 4.46097
357 2C31 ADP 4.50644
358 2C31 TZD 4.50644
359 5N0J FAD 4.50644
360 5OC1 FAD 4.50644
361 2IV2 MGD 4.50644
362 1V6A TRE 4.51807
363 1GY8 NAD 4.53401
364 2RAB FAD 4.53564
365 1UAY ADN 4.54545
366 4IGH 1EA 4.56989
367 4IGH ORO 4.56989
368 4IGH FMN 4.56989
369 3LXD FAD 4.57831
370 4MO4 ACP 4.58221
371 3DXY SAM 4.58716
372 1I8T FAD 4.63215
373 1E6E FAD 4.6875
374 2Z3Y F2N 4.72103
375 4NTC FAD 4.77612
376 5MW4 5JU 4.79042
377 3FUU ADN 4.79705
378 4NBU NAI 4.8
379 2CFC NAD 4.8
380 5W7M SAH 4.80769
381 4URF NAD 4.83871
382 3RFV 15L 4.86891
383 3RFV NAI 4.86891
384 5W7R SAH 4.8951
385 5W7R 9Z7 4.8951
386 5NA1 FAD 4.90196
387 3GU3 SAH 4.92958
388 1PS9 FAD 4.93562
389 1ZEM NAD 4.96183
390 4TM3 FAD 4.96614
391 1LVL FAD 5.02183
392 1LVL NAD 5.02183
393 3A28 NAD 5.03876
394 1EFV FAD 5.07937
395 1EFV AMP 5.07937
396 3GUZ PAF 5.11364
397 2NPX NAD 5.14541
398 2NPX FAD 5.14541
399 4RF2 NAP 5.14706
400 2HQM FAD 5.15021
401 2OBF SAH 5.19031
402 2OBF F83 5.19031
403 3G5S FAD 5.19187
404 5EJ2 NAD 5.19481
405 1BC5 SAH 5.20446
406 4IWN GEK 5.24017
407 3FXU TSU 5.2459
408 2JAP NDP 5.26316
409 1G8K MGD 5.26316
410 1YXM ADE 5.28053
411 4QTU SAM 5.28846
412 5K4W NAI 5.29595
413 5K4W THR 5.29595
414 1WY7 SAH 5.31401
415 4CQM NAP 5.36398
416 3CGD FAD 5.36481
417 3CGD COA 5.36481
418 3LAD FAD 5.36481
419 5WKC FAD 5.36481
420 3CGD NAD 5.36481
421 1T9D P25 5.36481
422 3CGB FAD 5.36481
423 1T9D PYD 5.36481
424 1T9D 1MM 5.36481
425 1T9D FAD 5.36481
426 1JQ3 AAT 5.40541
427 6CI9 NAP 5.40541
428 3GWZ SAH 5.42005
429 3GXO SAH 5.42005
430 2YY7 NAD 5.44872
431 1OC2 NAD 5.45977
432 1OC2 TDX 5.45977
433 1JQD SAH 5.47945
434 2AOT SAH 5.47945
435 1JQD HSM 5.47945
436 1UVC STE 5.49451
437 2XYQ SAH 5.51724
438 2WPF FAD 5.5794
439 5VN0 FAD 5.5794
440 5VN0 NAI 5.5794
441 5DM1 SAH 5.61798
442 5DM1 5D7 5.61798
443 3EWP APR 5.64972
444 1RLZ NAD 5.69106
445 5BJX UDP 5.7377
446 5BJX NAD 5.7377
447 1ORR NAD 5.76369
448 4K5S PM0 5.78358
449 4K5S FAD 5.78358
450 4D04 NAP 5.79399
451 4D04 FAD 5.79399
452 5U8U FAD 5.79399
453 4BV6 FAD 5.79399
454 4J36 FAD 5.79399
455 4J36 1HR 5.79399
456 3DUW SAH 5.8296
457 1JA9 NDP 5.83942
458 4EMI NAD 5.85366
459 4EMI FAD 5.85366
460 4NTD FAD 5.88235
461 5I39 FAD 5.88235
462 4Y9D NAI 5.90164
463 2PT9 2MH 5.919
464 2PT9 S4M 5.919
465 1R6D DAU 5.93472
466 1R6D NAD 5.93472
467 1O97 FAD 5.9375
468 1O97 AMP 5.9375
469 1IY8 NAD 5.99251
470 2Q1W NAD 6.00601
471 4DSG FAD 6.00858
472 4DSG UDP 6.00858
473 5XLX SAH 6.02837
474 3C6K SPD 6.03675
475 3C6K MTA 6.03675
476 3FPF TNA 6.04027
477 3FPF MTA 6.04027
478 5T2U NAP 6.04839
479 4FZV SAM 6.12813
480 2Q7V FAD 6.15385
481 3VYW SAM 6.16883
482 5THY SAH 6.17284
483 3ITJ CIT 6.21302
484 4OBW SAM 6.22568
485 4J1Q NDP 6.25
486 5GWX SAR 6.33803
487 5GWX SAM 6.33803
488 5G3U FDA 6.38298
489 5G3U ITW 6.38298
490 1QZZ SAM 6.41711
491 5THZ SAH 6.41975
492 3WMX NAD 6.42458
493 5KOX RFP 6.43777
494 5KOX FAD 6.43777
495 3V1U NAD 6.49351
496 4O4Z N2O 6.49351
497 1U7T TDT 6.51341
498 2YX1 SFG 6.54762
499 1QAN SAH 6.55738
500 2BD0 NAP 6.55738
501 4BLW AMP 6.57439
502 4BLW SAH 6.57439
503 4YAG NAI 6.57439
504 4L2I FAD 6.6474
505 1EJ0 SAM 6.66667
506 1XDS SAM 6.68449
507 2I7C AAT 6.71378
508 1FWV SGA MAG FUC 6.71642
509 2GDZ NAD 6.74157
510 3SJ7 NDP 6.74603
511 3VSE SAH 6.78392
512 5ERG SAM 6.78851
513 5FJN BE2 6.79825
514 5FJN FAD 6.79825
515 1MXH NAP 6.88406
516 1MXH DHF 6.88406
517 3CBG SAH 6.89655
518 3JWH SAH 6.91244
519 1ZQ9 SAM 7.01754
520 2DPM SAM 7.04225
521 5ICE 2H4 7.10227
522 5ICE SAH 7.10227
523 1LSS NAD 7.14286
524 6B92 SAH 7.14286
525 3BQF SSM 7.2165
526 4J7U YTZ 7.29167
527 4J7U NAP 7.29167
528 4YUW 4JU 7.29614
529 4YUW S4M 7.29614
530 5OJI ISN 7.30769
531 5OJI NAP 7.30769
532 1TPY SAH 7.31707
533 4M73 SAH 7.4184
534 4M73 M72 7.4184
535 2NXE SAM 7.48031
536 3MAG SAH 7.49186
537 3AD8 NAD 7.51073
538 5GWT NAD 7.55396
539 5GWT SIN 7.55396
540 5FA5 MTA 7.62943
541 2HMT NAI 7.63889
542 3MCT SAH 7.74411
543 1LDN NAD 7.91139
544 1UDB NAD 7.98817
545 1UDB UFG 7.98817
546 4X60 3XV 8
547 4X60 SFG 8
548 3CH6 311 8.04196
549 3CH6 NAP 8.04196
550 4GQB 0XU 8.13953
551 4KGD FAD 8.15451
552 4KGD TDP 8.15451
553 5Z2L NDP 8.16327
554 5K0A FAD 8.18182
555 3MB5 SAM 8.23529
556 5HJM MTA 8.23864
557 3HDY FDA 8.31234
558 3HDY GDU 8.31234
559 3HDY FAD 8.31234
560 1L1E SAH 8.36237
561 6GFK SAH 8.36653
562 1Y8Q ATP 8.3691
563 3DMH SAM 8.39895
564 3DMH GMP 8.39895
565 1NW5 SAM 8.46395
566 1VL8 NAP 8.61423
567 4K26 SFF 8.69565
568 4K26 NDP 8.69565
569 4POO SAM 9
570 5WGR FAD 9.01288
571 5EEH P9P 9.04255
572 5EEH SAH 9.04255
573 2DTX BMA 9.09091
574 4G5H NAP 9.09091
575 4G5H UD7 9.09091
576 2GAG NAD 9.09091
577 3RKR NAP 9.16031
578 3IHG FAD 9.22747
579 4M37 SAH 9.32945
580 4M38 SAH 9.32945
581 3TLJ SAH 9.65147
582 3G2O SAM 9.699
583 1DL5 SAH 9.77918
584 5YRL GLC GLC 9.85915
585 5YRM BGC GLC 9.85915
586 5YRJ BGC GLC 9.85915
587 5YRG BGC GLC 9.85915
588 5YRF GLC GLC 9.85915
589 1AE1 NAP 10.2564
590 5BVA FAD 10.2689
591 3RNM FAD 10.3448
592 3A4T SFG 10.5839
593 3ZV6 4HB 10.6762
594 3ZV6 NAD 10.6762
595 2FK8 SAM 10.6918
596 3GEG NAD 10.9312
597 1GEG NAD 10.9375
598 5FWA J7C 10.9865
599 3TKY SAH 11.1413
600 3GRU AMP 11.1864
601 5KOK SAH 11.335
602 5KOK S9T 11.335
603 5KOK R9T 11.335
604 3P9C SAH 11.5385
605 3Q9T FAY 11.588
606 3GDH SAH 11.6183
607 3OID NDP 11.6279
608 1XG5 NAP 11.8026
609 1NV8 MEQ 11.9718
610 1NV8 SAM 11.9718
611 1KYZ SAH 12.0548
612 1KYZ FER 12.0548
613 2ZIF SAM 12.1212
614 3C3Y SAH 12.2363
615 1KPG SAH 12.5436
616 6BR8 PGV 12.6984
617 6GKV SAH 12.8205
618 1KPH SAH 12.892
619 5MGZ SAH 13.1356
620 3U4C NDP 13.1673
621 3LCC SAH 13.1915
622 4II2 ATP 13.253
623 5M58 SAH 13.4783
624 4XCP PLM 13.5294
625 3EGI ADP 13.5922
626 3QFA FAD 13.7931
627 1JG3 ADN 14.0426
628 1XHL NDP 14.4781
629 2PXX SAH 14.8837
630 4YKG FAD 15.1631
631 4YKG NAD 15.1631
632 6ARJ BW4 15.1862
633 6ARJ SAH 15.1862
634 5DX8 SFG 15.1862
635 5DXA SFG 15.1862
636 5DX1 SFG 15.1862
637 5DX0 SFG 15.1862
638 5DWQ SFG 15.1862
639 3HVJ 705 15.3846
640 2PWY SAH 15.5039
641 4PIO AVI 15.7895
642 4PIO SAH 15.7895
643 5E8J SAH 15.9091
644 1SQL GUN 17.1233
645 3OFK SAH 18.0556
646 2YVJ FAD 18.3486
647 5FUB SAH 18.6944
648 4Y30 SAH 18.8034
649 4Y30 49L 18.8034
650 5E1M SAH 20.7469
651 5E1M PRO PRO LYS ARG ILE ALA 20.7469
652 1VE3 SAM 21.5859
653 3A27 SAM 21.6912
654 4R6W PC 21.7054
655 4R6W SAH 21.7054
656 3Q87 SAM 23.5294
657 3FZG SAM 24.5
658 2VWA PTY 24.7525
659 5WP4 SAH 26.824
660 5WP5 SAH 27.0386
661 6DUB SAH 29.2793
662 2ZFZ ARG 35.443
Pocket No.: 2; Query (leader) PDB : 4KRG; Ligand: OPE; Similar sites found with APoc: 27
This union binding pocket(no: 2) in the query (biounit: 4krg.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2J9C ATP None
2 1TED MYR 0.508906
3 3IGZ 3PG 1.93133
4 3IGZ 2PG 1.93133
5 5JFL NAD 2.14592
6 1EWF PC1 2.19298
7 6F6E PLM 2.53165
8 4GUT FAD 2.57511
9 4GUS FAD 2.57511
10 4LCN GNG 3.04569
11 2BP1 NDP 3.33333
12 2C91 NAP 3.5503
13 4WX0 HXD 3.80228
14 1TLL NAP 3.86266
15 1JCM 137 4.2471
16 3KF3 FRU 4.29185
17 4XJC TTP 4.51977
18 4L9Z COA 4.71976
19 4L9Z OXL 4.71976
20 3GFB NAD 5.42857
21 4R5Z PMP 5.72207
22 3ITJ FAD 6.21302
23 2R4J 13P 7.29614
24 2R4J FAD 7.29614
25 3DAA PDD 10.4693
26 6BR8 6OU 12.6984
27 5WP4 PC 26.824
Pocket No.: 3; Query (leader) PDB : 4KRG; Ligand: OPE; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 4krg.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2V0C ANZ 2.36052
2 1UDY CS8 2.77778
3 1KZN CBN 3.41463
4 3HL4 CDC 6.35593
5 2V1O COA 7.28477
6 1Q23 FUA 7.76256
Pocket No.: 4; Query (leader) PDB : 4KRG; Ligand: SAH; Similar sites found with APoc: 116
This union binding pocket(no: 4) in the query (biounit: 4krg.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3NJ4 NAD 1.14943
2 3AYI HCI 1.28755
3 3AYI FAD 1.28755
4 3NTA FAD 1.28755
5 5DNC ASN 1.28755
6 5GSN MMZ 1.3245
7 1NAA 6FA 1.71674
8 1NAA ABL 1.71674
9 1COY FAD 1.71674
10 5EB4 FAD 1.71674
11 5Y77 FAD 1.71674
12 1DMR PGD 1.93133
13 1H9A NAP 1.93133
14 5TTJ FAD 1.93133
15 6MVU K4V 1.93133
16 3AB1 FAD 1.94444
17 3U31 NAD 2.06897
18 4ZCC FAD 2.08333
19 4ZCC NAI 2.08333
20 5NUF NAD 2.10843
21 1QO8 FAD 2.14592
22 1PNO NAP 2.22222
23 1H0H MGD 2.33645
24 1RSG FAD 2.36052
25 1H82 FAD 2.36052
26 6EQS BV8 2.54545
27 3RIY NAD 2.5641
28 3SQP FAD 2.57511
29 6HOY AR6 2.64901
30 6HOY TSN 2.64901
31 3ZG6 APR 2.7027
32 6FHO FAD 2.75689
33 2IVD FAD 2.7897
34 3NKS FAD 2.7897
35 4X8O AP5 2.80374
36 4D42 W0I 2.83688
37 4D42 NAP 2.83688
38 2V6G NAP 3.02198
39 4YRY FAD 3.26087
40 1DJL NAP 3.38164
41 4C3Y FAD 3.43348
42 4C3Y ANB 3.43348
43 1Z45 NAD 3.43348
44 3H4V DVP 3.47222
45 3H4V NAP 3.47222
46 2HK9 ATR 3.63636
47 4EIP FAD 3.64807
48 2ZXI FAD 3.64807
49 1D4O NAP 3.80435
50 1V8B NAD 3.86266
51 1D8C GLV 3.86266
52 1KEW TYD 3.87812
53 2OOR TXP 3.90625
54 1NM5 NAD 3.90625
55 1NM5 NAP 3.90625
56 5M67 NAD 3.9666
57 5M67 ADE 3.9666
58 5M67 3D1 3.9666
59 2RGJ FAD 3.9801
60 3OZ2 FAD 4.03023
61 4XQC 13D 4.07725
62 1DKU AP2 4.10095
63 4PLT NAI 4.22961
64 1BZL GCG 4.29185
65 1BZL FAD 4.29185
66 1GPM CIT 4.29185
67 5MBX FAD 4.29185
68 5MBX SP5 4.29185
69 1KNR FAD 4.29185
70 4M52 M52 4.29185
71 3OND ADN 4.29185
72 3OND NAD 4.29185
73 4USR FAD 4.43213
74 2RAB NAD 4.53564
75 3ZNN FAD 4.61095
76 3ZNN 4WL 4.61095
77 3FUR Z12 4.77941
78 5THQ NDP 4.77941
79 3CTY FAD 5.01567
80 2B4Q NAP 5.07246
81 2WPF WPF 5.5794
82 2GMH FAD 5.5794
83 5IXH OTP 5.59006
84 3WDM ADN 5.74713
85 4EMJ FAD 5.85366
86 6GAR FAD 6.01719
87 3GF4 FAD 6.15385
88 3GF4 UPG 6.15385
89 4YSX FAD 6.41026
90 1RYI FAD 6.5445
91 1RYI GOA 6.5445
92 5JDC NAP 6.59722
93 4CM8 NAP 6.59722
94 4CM4 NAP 6.59722
95 4CLR NAP 6.59722
96 5JCJ NAP 6.59722
97 3BMQ NAP 6.59722
98 5K6A NAP 6.59722
99 5JDI NAP 6.59722
100 3BMO NAP 6.59722
101 5A3B APR 6.60066
102 5JCA FAD 7.04225
103 2VZ0 NAP 7.08955
104 2VZ0 D64 7.08955
105 1TMO 2MD 7.72532
106 5ODQ FAD 8.15217
107 3HB5 NAP 8.25688
108 1W8D NAP 8.9404
109 2VPY MGD 9.23077
110 1GET NAP 10
111 1GET FAD 10
112 1KQF MGD 10.2041
113 2GUD BMA 10.6557
114 2GUD MAN 10.6557
115 2HYQ MAN MAN 10.6557
116 2GUC MAN 10.6557
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