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Receptor
PDB id Resolution Class Description Source Keywords
5KOK 1.79 Å EC: 2.1.1.300 PAVINE N-METHYLTRANSFERASE IN COMPLEX WITH TETRAHYDROPAPAVER ADENOSYLHOMOCYSTEINE PH 7.25 THALICTRUM FLAVUM SUBSP. GLAUCUM BENZYLISOQUINOLINE ALKALOID BIOSYNTHESIS TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL STUDIES OF PAVINE N-METHYLTRANSFERASE FROM THALICTRUM FLAVUM REVEAL N INSIGHTS INTO SUBSTRATE RECOGNITION AND CATALYTIC M J.BIOL.CHEM. V. 291 23403 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
R9T A:403;
B:403;
Valid;
Valid;
none;
none;
submit data
343.417 C20 H25 N O4 COc1c...
S9T B:402;
A:402;
Valid;
Valid;
none;
none;
submit data
343.417 C20 H25 N O4 COc1c...
SAH B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KOK 1.79 Å EC: 2.1.1.300 PAVINE N-METHYLTRANSFERASE IN COMPLEX WITH TETRAHYDROPAPAVER ADENOSYLHOMOCYSTEINE PH 7.25 THALICTRUM FLAVUM SUBSP. GLAUCUM BENZYLISOQUINOLINE ALKALOID BIOSYNTHESIS TRANSFERASE
Ref.: STRUCTURAL AND FUNCTIONAL STUDIES OF PAVINE N-METHYLTRANSFERASE FROM THALICTRUM FLAVUM REVEAL N INSIGHTS INTO SUBSTRATE RECOGNITION AND CATALYTIC M J.BIOL.CHEM. V. 291 23403 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5KOK - S9T C20 H25 N O4 COc1ccc(cc....
2 5KPC - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 5KPG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5KOC - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5KOK - S9T C20 H25 N O4 COc1ccc(cc....
2 5KPC - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 5KPG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5KOC - SAM C15 H22 N6 O5 S C[S@@+](CC....
5 6GKV - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5KOK - S9T C20 H25 N O4 COc1ccc(cc....
2 5KPC - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 5KPG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5KOC - SAM C15 H22 N6 O5 S C[S@@+](CC....
5 6GKV - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: R9T; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 S9T 1 1
2 R9T 1 1
3 2H4 0.410959 0.818182
Ligand no: 2; Ligand: S9T; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 S9T 1 1
2 R9T 1 1
3 2H4 0.410959 0.818182
Ligand no: 3; 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 : 5KOK; Ligand: SAH; Similar sites found with APoc: 761
This union binding pocket(no: 1) in the query (biounit: 5kok.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2WYV NAD None
2 5NNT DPV None
3 1NAA 6FA 1.00756
4 1NAA ABL 1.00756
5 4OKE AMP 1.19048
6 1PN0 FAD 1.25945
7 1PN0 IPH 1.25945
8 2ZWI C5P 1.34048
9 6GAS FAD 1.51057
10 5HSA FAS 1.51134
11 6F7L FAD 1.51134
12 4K5S PM0 1.51134
13 4K5S FAD 1.51134
14 4KWI 1TJ 1.52091
15 4KWI NAP 1.52091
16 1ZEM NAD 1.52672
17 1EDO NAP 1.63934
18 1FP2 SAH 1.70455
19 1FP2 HMO 1.70455
20 4EUE NAI 1.76322
21 1GY8 NAD 1.76322
22 3AFN NAP 1.76322
23 1E5Q NDP 1.76322
24 4UZI IMD 1.76322
25 4D04 NAP 1.76322
26 4D04 FAD 1.76322
27 5KOX FAD 1.76322
28 5KOX RFP 1.76322
29 4AP3 FAD 1.76322
30 4AP3 NAP 1.76322
31 1KNR FAD 1.76322
32 5XLX SAH 1.77305
33 1UDB NAD 1.77515
34 1UDB UFG 1.77515
35 2YX1 SFG 1.78571
36 5GWT NAD 1.79856
37 5GWT SIN 1.79856
38 1ELI PYC 1.79949
39 5CGE 51F 1.80505
40 4O0L NDP 1.81818
41 5ME4 HP4 1.82482
42 5THQ NDP 1.83824
43 3FUU ADN 1.84502
44 2C5A NAD 1.84697
45 2C5A GDC 1.84697
46 5BW4 SAM 1.87266
47 1IY8 NAD 1.87266
48 1XHC FAD 1.90736
49 3P9C SAH 1.92308
50 6CI9 NAP 1.9305
51 1KEW NAD 1.93906
52 5FTW SAH 1.95312
53 3MAG SAH 1.9544
54 1SB8 UD2 1.98864
55 1SB8 NAD 1.98864
56 4IRP UDP 1.99203
57 4Q9N NAI 2.01342
58 1UWK URO 2.01511
59 1UWK NAD 2.01511
60 3HDY FDA 2.01511
61 3HDY GDU 2.01511
62 3HDY FAD 2.01511
63 6F97 FAD 2.01511
64 4EMI FAD 2.01511
65 4EMI NAD 2.01511
66 5VN0 FAD 2.01511
67 5VN0 NAI 2.01511
68 5BVA FAD 2.01511
69 3GDN HBX 2.01511
70 3GDN FAD 2.01511
71 5WGR FAD 2.01511
72 2BRY FAD 2.01511
73 3UCL CYH 2.01511
74 3UCL NAP 2.01511
75 3UCL FAD 2.01511
76 1ZK7 FAD 2.01511
77 2IVD FAD 2.01511
78 2R4J FAD 2.01511
79 2R4J 13P 2.01511
80 3MCT SAH 2.0202
81 1I0B PEL 2.10843
82 6C8R EQV 2.11082
83 6C8R SAH 2.11082
84 5YJF SAH 2.11268
85 5YJF 8WO 2.11268
86 3SJU NDP 2.15054
87 4PIO AVI 2.16718
88 4PIO SAH 2.16718
89 3LU1 NAD 2.1978
90 5X7Q GLC GLC GLC GLC 2.267
91 5X7Q GLC GLC GLC 2.267
92 2YVF FAD 2.267
93 2YVF NAD 2.267
94 4MOP 2H5 2.267
95 2DKH FAD 2.267
96 2DKH 3HB 2.267
97 2YVJ FAD 2.267
98 2E7Z MGD 2.267
99 3DXY SAM 2.29358
100 4YUW 4JU 2.30263
101 4YUW S4M 2.30263
102 2WPB ZZI 2.30263
103 3GF4 FAD 2.30769
104 3GF4 UPG 2.30769
105 3TN7 NJP 2.33463
106 5OVK NDP 2.34375
107 4JNA FAD 2.35294
108 1XTP SAI 2.3622
109 2Q46 NAP 2.37154
110 1R6D NAD 2.37389
111 1R6D DAU 2.37389
112 6FDF SAH 2.39521
113 3I53 SAH 2.40964
114 3EGI ADP 2.42718
115 5Z75 NAD 2.44648
116 3GDH SAH 2.48963
117 4YMH SAH 2.5
118 1GZ6 NAI 2.50784
119 2ZWA SAH 2.51889
120 5W7R SAH 2.51889
121 5MLR GRQ 2.51889
122 5MLR NAP 2.51889
123 3UG4 AHR 2.51889
124 5W7R 9Z7 2.51889
125 2FR1 NDP 2.51889
126 1GPE FAD 2.51889
127 1YBH FAD 2.51889
128 5UAO FAD 2.51889
129 1X87 NAD 2.51889
130 5U8U FAD 2.51889
131 4J36 1HR 2.51889
132 3A4M ADP 2.51889
133 5HJM MTA 2.55682
134 2CUL FAD 2.58621
135 2EFJ SAH 2.60417
136 1RYI FAD 2.6178
137 3LXD FAD 2.6506
138 5N5D SAM 2.65487
139 5EEH P9P 2.65957
140 5EEH SAH 2.65957
141 5GT9 NAP 2.6616
142 5OJI NAP 2.69231
143 5OJI ISN 2.69231
144 1XHL NDP 2.6936
145 3HVJ 705 2.71493
146 2PZM NAD 2.72727
147 2PZM UDP 2.72727
148 5BJX NAD 2.73224
149 5BJX UDP 2.73224
150 2V6G NAP 2.74725
151 5MIT FAD 2.75229
152 5MIT NAP 2.75229
153 3LCC SAH 2.77078
154 1BZL GCG 2.77078
155 3SSO SAH 2.77078
156 3SQP FAD 2.77078
157 1BZL FAD 2.77078
158 4Z24 FAD 2.77078
159 3UOY FAD 2.77078
160 3UOY NAP 2.77078
161 2NYA MGD 2.77078
162 1QO8 FAD 2.77078
163 3IHG FAD 2.77078
164 5TTJ FAD 2.77078
165 2FAV APR 2.77778
166 2ZFU SAH 2.7907
167 1WG8 SAM 2.80702
168 3G89 SAM 2.81124
169 2DPM SAM 2.8169
170 1BXK NAD 2.8169
171 5IL1 SAM 2.83019
172 4D42 W0I 2.83688
173 4D42 NAP 2.83688
174 5W7K SAH 2.88462
175 5W7M SAH 2.88462
176 4ZRN NAD 2.88462
177 4ZRN UPG 2.88462
178 1UAY ADN 2.89256
179 5TWB FAD 2.90698
180 1TZD ADP 2.90909
181 1XDS SAM 2.94118
182 2O07 SPD 2.96053
183 2O07 MTA 2.96053
184 1YXM ADE 2.9703
185 4MO2 FDA 2.98913
186 4MO2 FAD 2.98913
187 2GDZ NAD 2.99625
188 1I8T FAD 2.99728
189 5JAQ NAI 3.02267
190 2Z3Y F2N 3.02267
191 3E1T FAD 3.02267
192 5J5Z FAD 3.02419
193 1U7T TDT 3.06513
194 3F8D FAD 3.09598
195 2OBF SAH 3.11419
196 2OBF F83 3.11419
197 4BLW AMP 3.11419
198 4BLW SAH 3.11419
199 4YAG NAI 3.11419
200 4RDI ATP 3.125
201 4RDH AMP 3.125
202 2DKN NAI 3.13725
203 3RJ5 NAD 3.14961
204 2CHT TSA 3.14961
205 3ZNN FAD 3.17003
206 3ZNN 4WL 3.17003
207 3SJ7 NDP 3.1746
208 1XKQ NDP 3.21429
209 6C5B SAH 3.22581
210 5KVA SAM 3.23741
211 3ITJ CIT 3.25444
212 5TVI O8N 3.26087
213 5DF1 58X 3.26087
214 5DF1 NAP 3.26087
215 3QOX SAH 3.27456
216 3VSE SAH 3.27456
217 6D6Y SAH 3.27456
218 1E1M NAP 3.27456
219 1E1M FAD 3.27456
220 3V1U NAD 3.27456
221 4TXI FAD 3.27456
222 2B4Q NAP 3.27456
223 1Z45 NAD 3.27456
224 4D5G TPP 3.27456
225 4D5G FAD 3.27456
226 3NYC FAD 3.27456
227 3NYC IAR 3.27456
228 1RPN NDP 3.28358
229 1VJ7 GPX 3.30789
230 4USQ FAD 3.3241
231 4CNK FAD 3.32481
232 4ONQ SFG 3.36134
233 6B92 SAH 3.40136
234 1XCL SAH 3.40426
235 6ARJ BW4 3.4384
236 6ARJ SAH 3.4384
237 5DX8 SFG 3.4384
238 5DXA SFG 3.4384
239 5DX1 SFG 3.4384
240 5DX0 SFG 3.4384
241 5DWQ SFG 3.4384
242 4L2I FAD 3.46821
243 1GEG NAD 3.51562
244 5GWX SAM 3.52113
245 5GWX SAR 3.52113
246 3L9W AMP 3.52645
247 4N49 SAM 3.52645
248 3L9W GSH 3.52645
249 3H8V ATP 3.52645
250 2GN4 NDP 3.52645
251 2HQM FAD 3.52645
252 5EB4 FAD 3.52645
253 2C31 ADP 3.52645
254 2C31 TZD 3.52645
255 2GN4 UD1 3.52645
256 1TUU AMP 3.52645
257 5FJN BE2 3.52645
258 5FJN FAD 3.52645
259 4R84 CSF 3.52645
260 4KGD FAD 3.52645
261 1LVL NAD 3.52645
262 4KGD TDP 3.52645
263 2NPX FAD 3.52645
264 2NPX NAD 3.52645
265 1G0N PHH 3.53357
266 1G0N NDP 3.53357
267 4FC7 COA 3.61011
268 4FC7 NAP 3.61011
269 3WMX NAD 3.63128
270 4X7Y SAH 3.64964
271 5Y1G NAD 3.65854
272 5Y1G AKB 3.65854
273 6EL3 NAP 3.67454
274 1PR9 NAP 3.68852
275 3D3W NAP 3.68852
276 4YAC NAI 3.7037
277 5K4W NAI 3.73832
278 5K4W THR 3.73832
279 3KIF GDL 3.77358
280 1QZZ SAM 3.77834
281 2JB2 PHE 3.77834
282 2JB2 FAD 3.77834
283 3T31 DCQ 3.77834
284 3T31 FAD 3.77834
285 3TKA SAM 3.77834
286 5XWV NDP 3.77834
287 6FP4 E1T 3.77834
288 6FP4 FAD 3.77834
289 1MO9 FAD 3.77834
290 1REO FAD 3.77834
291 4HA6 FAD 3.77834
292 1MO9 KPC 3.77834
293 4LHD GLY 3.77834
294 5XWV 8H6 3.77834
295 1DL5 SAH 3.78549
296 3GWZ SAH 3.79404
297 3GXO SAH 3.79404
298 1RLZ NAD 3.79404
299 3C3Y SAH 3.79747
300 1E3W NAD 3.83142
301 5E9W SAH 3.84615
302 1E6W NAD 3.84615
303 2ZAT NAP 3.84615
304 4GKV NAD 3.86905
305 1GUZ NAD 3.87097
306 1NJR XYL 3.87324
307 1YQZ FAD 3.88128
308 4OBW SAM 3.89105
309 4NBW NAD 3.89105
310 3ZV6 4HB 3.91459
311 3ZV6 NAD 3.91459
312 1B74 DGN 3.93701
313 3WXB NDP 3.94265
314 3FRH SAH 3.95257
315 4A6D SAM 3.96601
316 1UKG MMA 3.96825
317 4XFR CIT 3.98126
318 6GFK SAH 3.98406
319 4NBU NAI 4
320 2EWM NAD 4.01606
321 1P1C SAH 4.0201
322 3LST SAH 4.02299
323 1Z3C SA8 4.02685
324 3PT9 SAH 4.03023
325 5JCM ISD 4.03023
326 5JCM FAD 4.03023
327 5JCM NAD 4.03023
328 2JAH NDP 4.04858
329 2JAP NDP 4.04858
330 6DUB SAH 4.05405
331 1NW5 SAM 4.07523
332 5FA5 MTA 4.08719
333 3QJ4 FAD 4.09357
334 1EFV FAD 4.12698
335 1EFV AMP 4.12698
336 6E8I PTR 4.14201
337 5K0A FAD 4.24242
338 1Q0S SAH 4.2471
339 4Y30 49L 4.2735
340 4Y30 SAH 4.2735
341 5N0J FAD 4.2735
342 5FFF 5XC 4.28016
343 5FFF NAP 4.28016
344 5X62 SAH 4.28212
345 4RVG TYD 4.28212
346 4RVG SAM 4.28212
347 1Y8Q ATP 4.28212
348 3GD4 NAD 4.28212
349 3GD4 FAD 4.28212
350 4BV6 FAD 4.28212
351 3QVP FAD 4.28212
352 2IV2 MGD 4.28212
353 3NKS FAD 4.28212
354 2AQJ FAD 4.28212
355 2AQJ TRP 4.28212
356 5TS5 FAD 4.28212
357 3K5I AIR 4.28212
358 4X60 SFG 4.28571
359 4X60 3XV 4.28571
360 4II2 ATP 4.29448
361 5XNC MTA 4.31267
362 4D79 ATP 4.34783
363 4GQB 0XU 4.36047
364 1JQD SAH 4.45205
365 2AOT SAH 4.45205
366 1JQD HSM 4.45205
367 5MW4 5JU 4.49102
368 2UYQ SAM 4.51613
369 4DCM SAM 4.53333
370 3FSY SCA 4.53401
371 6HQD SRT 4.53401
372 4X9M FAD 4.53401
373 1Q9I TEO 4.53401
374 1Q9I FAD 4.53401
375 4XUC SAM 4.58716
376 4XUC 43G 4.58716
377 3WGT QSC 4.61095
378 3WGT FAD 4.61095
379 5F2K SAH 4.61957
380 5F2K OCA 4.61957
381 5U19 827 4.69208
382 5U19 SAH 4.69208
383 1BDB NAD 4.69314
384 4RL4 PPV 4.71698
385 1RJW ETF 4.71976
386 4KIB SAH 4.7619
387 2EJU SAH 4.7619
388 2BD0 NAP 4.78589
389 3OFK SAH 4.78589
390 4ITU NAI 4.78589
391 4ITU 1HS 4.78589
392 4MIG G3F 4.78589
393 4DMG SAM 4.78589
394 1COY AND 4.78589
395 1COY FAD 4.78589
396 4TM3 FAD 4.78589
397 3X01 AMP 4.83461
398 1FP1 SAH 4.83871
399 4GUT FAD 4.83871
400 4HSU FAD 4.83871
401 4GUS FAD 4.83871
402 5Z2L NDP 4.89796
403 2Q7V FAD 4.92308
404 1NV8 MEQ 4.92958
405 1NV8 SAM 4.92958
406 5A3B APR 4.9505
407 4M38 SAH 4.95627
408 4M37 SAH 4.95627
409 2AE2 PTO 5
410 2AE2 NAP 5
411 4POO SAM 5
412 3G2O SAM 5.01672
413 4UCI SAM 5.03778
414 2NVK FAD 5.03778
415 4REP FAD 5.03778
416 3CH6 NAP 5.03778
417 3CH6 311 5.03778
418 5WUW NAP 5.03778
419 4M73 SAH 5.04451
420 4M73 M72 5.04451
421 3TLJ SAH 5.09383
422 3KO8 NAD 5.12821
423 2VPY MGD 5.12821
424 4E70 N7I 5.15464
425 3O03 NAP 5.15464
426 1FL2 FAD 5.16129
427 2BZG SAH 5.17241
428 5JJR SAH 5.28967
429 4C4A SAH 5.28967
430 2WET FAD 5.28967
431 2GV8 FAD 5.28967
432 1VQW FAD 5.28967
433 2GVC FAD 5.28967
434 1F3L SAH 5.29595
435 5J60 FAD 5.3125
436 5ERG SAM 5.32787
437 1JNR FAD 5.33333
438 3BGD SAH 5.38462
439 3BGD PM6 5.38462
440 2RH4 EMO 5.41516
441 3H2B SAH 5.41872
442 3KLJ FAD 5.45455
443 2PD4 NAD 5.45455
444 1NXJ GLV 5.46448
445 3ABI NAD 5.47945
446 3HB5 NAP 5.50459
447 3VYW SAM 5.51948
448 3NDJ SAH 5.52885
449 3NDJ JHZ 5.52885
450 3AYI HCI 5.54156
451 3AYI FAD 5.54156
452 3ICT FAD 5.54156
453 2IID PHE 5.54156
454 2IID FAD 5.54156
455 3ICS FAD 5.54156
456 3ICR FAD 5.54156
457 2CFC NAD 5.6
458 5T2U NAP 5.64516
459 1N2X SAM 5.64784
460 3RKR NAP 5.72519
461 6BQ6 TER 5.74018
462 1ORR NAD 5.76369
463 2YY7 NAD 5.76923
464 4G5H UD7 5.78512
465 4G5H NAP 5.78512
466 2JJQ SAH 5.79345
467 4J1Q NDP 5.79345
468 2Q28 ADP 5.79345
469 2ZXI FAD 5.79345
470 2JHP SAH 5.79345
471 3FG2 FAD 5.79345
472 1NVM NAD 5.7971
473 3CGB FAD 5.83333
474 1ZQ9 SAM 5.96491
475 5YF1 8V0 6.07735
476 5YF1 SFG 6.07735
477 4USR FAD 6.09418
478 2BGM NAJ 6.11511
479 2EG5 SAH 6.1828
480 2P41 SAH 6.22951
481 3MB5 SAM 6.27451
482 5WBF LAC 6.2963
483 3S1S SAH 6.29723
484 4TQG NDP 6.29723
485 2V3V MGD 6.29723
486 6ER9 NAP 6.29723
487 6ER9 FAD 6.29723
488 2RAB NAD 6.29723
489 2RAB FAD 6.29723
490 4HXY NDP 6.39269
491 2ZIF SAM 6.39731
492 3Q87 SAM 6.4
493 1G55 SAH 6.41399
494 1XG5 NAP 6.45161
495 3O7W SAM 6.46258
496 3NUG NAD 6.47773
497 3EVF SAH 6.4982
498 3EVF GTA 6.4982
499 2WA2 SAM 6.52174
500 3LKZ SFG 6.54206
501 2IVF MGD 6.54206
502 6B3A SAM 6.54912
503 2YG3 FAD 6.54912
504 3OID NDP 6.54912
505 6H3O FAD 6.54912
506 5MBX FAD 6.54912
507 5MBX SP5 6.54912
508 4CVN ADP 6.56934
509 1RJD SAM 6.58683
510 1FK8 NAD 6.61479
511 4FN4 NAD 6.69291
512 2WW4 ADP 6.71378
513 5YEC ATP 6.72269
514 1JJV ATP 6.79612
515 3X0D SAH 6.80101
516 1R27 MGD 6.80101
517 5FEU NAP 6.87285
518 4Y9D NAI 6.88525
519 2Q1S NAI 6.89655
520 3EVG SAH 6.90909
521 1KYQ NAD 6.93431
522 3ELW GP3 7
523 3ELW SAM 7
524 1V59 NAD 7.0529
525 3ML1 MGD 7.0529
526 1FEC FAD 7.0529
527 1Q1R FAD 7.0529
528 1YY5 FAD 7.0529
529 1I2B UPG 7.0529
530 1I2B USQ 7.0529
531 1I2B NAD 7.0529
532 1V59 FAD 7.0529
533 2PX8 SAH 7.0632
534 2NXE SAM 7.08661
535 1JQ3 AAT 7.09459
536 4YKG FAD 7.10173
537 4YKG NAD 7.10173
538 3P2E SAH 7.11111
539 5EJ2 NAD 7.14286
540 1H5Q NAP 7.16981
541 3DUW SAH 7.17489
542 1VL0 NAI 7.19178
543 2A14 SAH 7.22433
544 1L3I SAH 7.29167
545 2WPF FAD 7.30479
546 2WPF WPF 7.30479
547 1RSG FAD 7.30479
548 4YSX FAD 7.30479
549 2AG5 NAD 7.31707
550 1H0H MGD 7.47664
551 5CUQ NSC 7.49064
552 4ZA2 NAD 7.50988
553 5FWA J7C 7.55667
554 4YDD MGD 7.55667
555 4YDD MD1 7.55667
556 5K7U SAM 7.73639
557 4FZV SAM 7.79944
558 4RPL FAD 7.80856
559 4RPL 3UC 7.80856
560 1H82 GZZ 7.80856
561 1H82 FAD 7.80856
562 2F5Z FAD 7.8125
563 3AB1 FAD 8.05556
564 3CGD FAD 8.06045
565 3CGD COA 8.06045
566 2CDU FAD 8.06045
567 3CGD NAD 8.06045
568 5OC1 FAD 8.06045
569 3AXB FAD 8.06045
570 3AXB PRO 8.06045
571 5E72 SAM 8.09249
572 5ULP KB1 8.20895
573 6BWL NAD 8.23171
574 1VL8 NAP 8.2397
575 1G8K MGD 8.31234
576 2PXX SAH 8.37209
577 5GM1 SAH 8.41751
578 6DNT NAD 8.43023
579 6F9Q NAD 8.45588
580 5M90 JIF 8.56423
581 5KMS FAD 8.56423
582 2VVL FAD 8.56423
583 4XQC 13D 8.56423
584 4XQC NAD 8.56423
585 2VVM FAD 8.56423
586 5KMS NAD 8.56423
587 3RNM FAD 8.62069
588 5JGL SAM 8.65052
589 3OU2 SAH 8.7156
590 3LZW NAP 8.73494
591 3LZW FAD 8.73494
592 5O42 NAD 8.75912
593 5O42 BGC 8.75912
594 5O42 9JW 8.75912
595 2DTX BMA 8.81612
596 1G60 SAM 8.84615
597 1ZBQ NAD 8.8685
598 3GEG NAD 8.90688
599 3OJF NDP 8.94942
600 3OJF IMJ 8.94942
601 4LWP SAH 8.96739
602 1Q7B NAP 9.01639
603 2GAG FAD 9.09091
604 2GAG FOA 9.09091
605 2GAG NAD 9.09091
606 4CQM NAP 9.1954
607 1QG6 NAD 9.1954
608 1QG6 TCL 9.1954
609 6ACS CIT 9.30233
610 1O97 AMP 9.375
611 1O97 FAD 9.375
612 3CTY FAD 9.40439
613 4NTD FAD 9.41177
614 3QFA FAD 9.48276
615 3FZG SAM 9.5
616 5YJI SAH 9.50704
617 5YJI 8WO 9.50704
618 5T67 JHZ 9.57179
619 5T67 SAH 9.57179
620 3U4C NDP 9.60854
621 4QTU SAM 9.61539
622 2HNK SAH 9.62343
623 3QWI CUE 9.62963
624 3QWI NAP 9.62963
625 3MQ2 SAH 9.63303
626 4AZW SAM 9.82368
627 6F5Z SAH 9.83607
628 3VC1 SAH 9.9359
629 3VC1 GST 9.9359
630 2Q0L FAD 9.96785
631 5L95 AMP 10
632 3A28 NAD 10.0775
633 1E6E FAD 10.1562
634 3S5W FAD 10.3275
635 2HMT NAI 10.4167
636 4NTC FAD 10.4478
637 3BXO SAM 10.4603
638 1R18 SAH 10.5727
639 5KKA 6V0 10.5769
640 1SQF SAM 10.5793
641 2WSB NAD 10.6299
642 1LSS NAD 10.7143
643 1U2Z SAH 10.8312
644 6GAR FAD 10.8883
645 5JWC FAD 10.9405
646 1AE1 NAP 10.989
647 3GCZ SAM 10.9929
648 5DNK SAH 11.0831
649 4CS9 AMP 11.1111
650 5F8F SFG 11.1406
651 4KRG SAH 11.335
652 3LCV SAM 11.3879
653 2PT9 2MH 11.5265
654 2PT9 S4M 11.5265
655 5BRT FAD 11.5869
656 5BRT CH9 11.5869
657 3GD8 GOL 11.6592
658 1EJ0 SAM 11.6667
659 4GLL NAD 11.8694
660 4ZCC NAI 11.9048
661 4ZCC FAD 11.9048
662 3A4V NAD 11.9874
663 3A4V PYR 11.9874
664 2Q1W NAD 12.012
665 3BM1 FMN 12.0219
666 4NBT NAD 12.0833
667 6DEN G8A 12.0907
668 6DEN TP9 12.0907
669 6DEN FAD 12.0907
670 4RF2 NAP 12.5
671 4YNU LGC 12.5945
672 4YNU FAD 12.5945
673 2XYQ SAH 12.7586
674 5THY SAH 12.8463
675 5THZ SAH 12.8463
676 5G3U FDA 12.8463
677 5G3U ITW 12.8463
678 2I7C AAT 13.0742
679 4KRI SAH 13.0982
680 5MPT SAH 13.0982
681 4NEC SAH 13.2576
682 1BC5 SAH 13.3829
683 1KYZ SAH 13.4247
684 1KYZ FER 13.4247
685 3A4T SFG 13.5036
686 5DLY SAH 13.5338
687 5DLY 5D7 13.5338
688 1ZK4 NAP 13.5458
689 5MGZ SAH 13.5593
690 3TKY SAH 13.587
691 6ECT SAM 13.7072
692 5M58 SAH 13.913
693 5BSZ SAH 14
694 4EMJ FAD 14.0187
695 4B63 FAD 14.1058
696 4B63 ORN 14.1058
697 4B63 NAP 14.1058
698 3CBG SAH 14.2241
699 1JA9 NDP 14.2336
700 5WP5 SAH 14.3577
701 5ICE 2H4 14.7727
702 5ICE SAH 14.7727
703 3GU3 SAH 15.1408
704 2VDV SAM 15.4472
705 5E5U MLT 16.0804
706 4URF NAD 16.129
707 1ZGA SAH 16.2465
708 5FUB SAH 16.3205
709 3PFG TLO 16.3498
710 3PFG SAM 16.3498
711 1WY7 SAH 16.4251
712 3A25 SAM 16.6113
713 5UFN SAH 16.8067
714 1I1N SAH 16.8142
715 6ECU SAH 17.0886
716 1VE3 SAM 17.1806
717 5FA8 SAM 17.3913
718 6ECW SAH 17.4603
719 4J56 FAD 17.5439
720 3C6K SPD 17.8478
721 3C6K MTA 17.8478
722 3WV8 ATP 17.8899
723 3WDM ADN 18.0077
724 5DM1 SAH 18.7266
725 5DM1 5D7 18.7266
726 3JWH SAH 18.894
727 3T7S SAM 19.0299
728 5WP4 SAH 19.1446
729 2PWY SAH 19.3798
730 5JE0 AZ8 19.8381
731 5JE0 SAH 19.8381
732 1PVC ILE SER GLU VAL 20.5882
733 3A27 SAM 21.6912
734 3DMH SAM 23.0971
735 3DMH GMP 23.0971
736 5LOG SAH 23.176
737 4R6W PC 23.6434
738 4R6W SAH 23.6434
739 3FPF TNA 23.8255
740 3FPF MTA 23.8255
741 5E1M PRO PRO LYS ARG ILE ALA 24.0664
742 5E1M SAH 24.0664
743 1KPG SAH 24.7387
744 1JG3 ADN 25.1064
745 1TPY SAH 25.4355
746 1L1E SAH 25.784
747 1KPH SAH 25.784
748 4PNE SAH 26.1589
749 1IM8 SAI 26.2295
750 4IWN GEK 27.0742
751 3VPD CIT 27.4021
752 1I9G SAM 27.8571
753 3GRU AMP 29.1525
754 5ZW3 SAH 30.2222
755 1QAN SAH 30.3279
756 3AD8 PYC 32.0197
757 3AD8 FAD 32.0197
758 3AD8 NAD 32.0197
759 2FK8 SAM 37.1069
760 2XVM SAH 37.6884
761 5E8J SAH 38.6364
Pocket No.: 2; Query (leader) PDB : 5KOK; Ligand: S9T; Similar sites found with APoc: 321
This union binding pocket(no: 2) in the query (biounit: 5kok.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 4RJD TFP None
3 5UGW GSH 1.14286
4 4OKE AMP 1.19048
5 1FP2 SAH 1.70455
6 1FP2 HMO 1.70455
7 4UZI IMD 1.76322
8 5XLX SAH 1.77305
9 2YX1 SFG 1.78571
10 5ME4 HP4 1.82482
11 3FUU ADN 1.84502
12 5BW4 SAM 1.87266
13 3P9C SAH 1.92308
14 5FTW SAH 1.95312
15 6C8R EQV 2.11082
16 6C8R SAH 2.11082
17 5YJF 8WO 2.11268
18 5YJF SAH 2.11268
19 4PIO AVI 2.16718
20 4PIO SAH 2.16718
21 5X7Q GLC GLC GLC GLC 2.267
22 5X7Q GLC GLC GLC 2.267
23 3DXY SAM 2.29358
24 2WPB ZZI 2.30263
25 5OVK NDP 2.34375
26 1XTP SAI 2.3622
27 6FDF SAH 2.39521
28 3I53 SAH 2.40964
29 3EGI ADP 2.42718
30 3GDH SAH 2.48963
31 4YMH SAH 2.5
32 2ZWA SAH 2.51889
33 5W7R SAH 2.51889
34 3UG4 AHR 2.51889
35 1X87 NAD 2.51889
36 5HJM MTA 2.55682
37 2EFJ SAH 2.60417
38 5N5D SAM 2.65487
39 5EEH SAH 2.65957
40 5EEH P9P 2.65957
41 3HVJ 705 2.71493
42 3LCC SAH 2.77078
43 5ZI9 FLC 2.77078
44 3SSO SAH 2.77078
45 2ZFU SAH 2.7907
46 1WG8 SAM 2.80702
47 3G89 SAM 2.81124
48 2DPM SAM 2.8169
49 5IL1 SAM 2.83019
50 5W7K SAH 2.88462
51 5W7M SAH 2.88462
52 1UAY ADN 2.89256
53 1TZD ADP 2.90909
54 1XDS SAM 2.94118
55 1YXM ADE 2.9703
56 2OBF F83 3.11419
57 2OBF SAH 3.11419
58 4RDH AMP 3.125
59 4RDI ATP 3.125
60 6C5B SAH 3.22581
61 5KVA SAM 3.23741
62 3ITJ CIT 3.25444
63 5TVI O8N 3.26087
64 3VSE SAH 3.27456
65 6D6Y SAH 3.27456
66 3QOX SAH 3.27456
67 1VJ7 GPX 3.30789
68 4ONQ SFG 3.36134
69 6B92 SAH 3.40136
70 5DX8 SFG 3.4384
71 5DXA SFG 3.4384
72 5DX1 SFG 3.4384
73 5DX0 SFG 3.4384
74 5DWQ SFG 3.4384
75 6ARJ BW4 3.4384
76 6ARJ SAH 3.4384
77 2XOC ADE 3.44828
78 5GWX SAM 3.52113
79 5GWX SAR 3.52113
80 4N49 SAM 3.52645
81 3H8V ATP 3.52645
82 1TUU AMP 3.52645
83 3L9W AMP 3.52645
84 4YAC NAI 3.7037
85 3KIF GDL 3.77358
86 1QZZ SAM 3.77834
87 3TKA SAM 3.77834
88 4LHD GLY 3.77834
89 1DL5 SAH 3.78549
90 3GWZ SAH 3.79404
91 3GXO SAH 3.79404
92 3C3Y SAH 3.79747
93 5E9W SAH 3.84615
94 4OBW SAM 3.89105
95 3FRH SAH 3.95257
96 4A6D SAM 3.96601
97 1UKG MMA 3.96825
98 3LST SAH 4.02299
99 1Z3C SA8 4.02685
100 3PT9 SAH 4.03023
101 6DUB SAH 4.05405
102 1NW5 SAM 4.07523
103 5FA5 MTA 4.08719
104 1Q0S SAH 4.2471
105 4Y30 49L 4.2735
106 4Y30 SAH 4.2735
107 1Y8Q ATP 4.28212
108 4RVG TYD 4.28212
109 4RVG SAM 4.28212
110 5X62 SAH 4.28212
111 4X60 3XV 4.28571
112 4X60 SFG 4.28571
113 4II2 ATP 4.29448
114 5XNC MTA 4.31267
115 4D79 ATP 4.34783
116 4K6B GLU 4.34783
117 4GQB 0XU 4.36047
118 3KYG 5GP 5GP 4.40529
119 2AOT SAH 4.45205
120 1JQD SAH 4.45205
121 1JQD HSM 4.45205
122 2UYQ SAM 4.51613
123 4DCM SAM 4.53333
124 3FSY SCA 4.53401
125 6HQD SRT 4.53401
126 4XUC 43G 4.58716
127 4XUC SAM 4.58716
128 5F2K OCA 4.61957
129 5F2K SAH 4.61957
130 5U19 SAH 4.69208
131 5U19 827 4.69208
132 4KIB SAH 4.7619
133 2EJU SAH 4.7619
134 4DMG SAM 4.78589
135 3OFK SAH 4.78589
136 3X01 AMP 4.83461
137 1FP1 SAH 4.83871
138 2CH5 NDG 4.89914
139 2CH5 NAG 4.89914
140 1NV8 MEQ 4.92958
141 1NV8 SAM 4.92958
142 4M38 SAH 4.95627
143 4M37 SAH 4.95627
144 4POO SAM 5
145 3G2O SAM 5.01672
146 4UCI SAM 5.03778
147 1BRW URA 5.03778
148 4M73 SAH 5.04451
149 4M73 M72 5.04451
150 3TLJ SAH 5.09383
151 4E70 N7I 5.15464
152 2BZG SAH 5.17241
153 5JJR SAH 5.28967
154 4C4A SAH 5.28967
155 1F3L SAH 5.29595
156 5ERG SAM 5.32787
157 3BGD SAH 5.38462
158 3BGD PM6 5.38462
159 3H2B SAH 5.41872
160 1NXJ GLV 5.46448
161 3VYW SAM 5.51948
162 3NDJ JHZ 5.52885
163 3NDJ SAH 5.52885
164 1N2X SAM 5.64784
165 3RKR NAP 5.72519
166 2JJQ SAH 5.79345
167 2JHP SAH 5.79345
168 2Q28 ADP 5.79345
169 5WJ6 B4A 5.79345
170 1IV2 CDP 5.92105
171 1ZQ9 SAM 5.96491
172 5YF1 SFG 6.07735
173 5YF1 8V0 6.07735
174 2EG5 SAH 6.1828
175 2P41 SAH 6.22951
176 3MB5 SAM 6.27451
177 3S1S SAH 6.29723
178 2ZIF SAM 6.39731
179 3Q87 SAM 6.4
180 1G55 SAH 6.41399
181 3O7W SAM 6.46258
182 3EVF GTA 6.4982
183 3EVF SAH 6.4982
184 2WA2 SAM 6.52174
185 3LKZ SFG 6.54206
186 1RJD SAM 6.58683
187 2WW4 ADP 6.71378
188 5YEC ATP 6.72269
189 1JJV ATP 6.79612
190 3X0D SAH 6.80101
191 5KJW 53C 6.80101
192 4Y9D NAI 6.88525
193 3EVG SAH 6.90909
194 3N8K D1X 6.97674
195 3ELW SAM 7
196 3ELW GP3 7
197 1V59 NAD 7.0529
198 2PX8 SAH 7.0632
199 2NXE SAM 7.08661
200 3P2E SAH 7.11111
201 3DUW SAH 7.17489
202 2A14 SAH 7.22433
203 1L3I SAH 7.29167
204 5CUQ NSC 7.49064
205 5FWA J7C 7.55667
206 5K7U SAM 7.73639
207 4FZV SAM 7.79944
208 5E72 SAM