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Receptor
PDB id Resolution Class Description Source Keywords
1KYW 2.4 Å EC: 2.1.1.68 CRYSTAL STRUCTURE ANALYSIS OF CAFFEIC ACID/5-HYDROXYFERULIC ACID 3/5-O-METHYLTRANSFERASE IN COMPLEX WITH 5- H YDROXYCONIFERALDEHYDE MEDICAGO SATIVA O-METHYLTRANSFERASE LIGNIFICATION PROTEIN-LIGAND COMPLEX
Ref.: STRUCTURAL BASIS FOR THE MODULATION OF LIGNIN MONOMER METHYLATION BY CAFFEIC ACID/5-HYDROXYFERULIC ACID 3/5-O-METHYLTRANSFERASE. PLANT CELL V. 14 1265 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HFL F:0;
Invalid;
none;
submit data
212.199 C10 H12 O5 COc1c...
SAH C:1698;
F:1699;
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
1KYZ 2.2 Å EC: 2.1.1.68 CRYSTAL STRUCTURE ANALYSIS OF CAFFEIC ACID/5-HYDROXYFERULIC ACID 3/5-O-METHYLTRANSFERASE FERULIC ACID COMPLEX MEDICAGO SATIVA O-METHYLTRANSFERASE LIGNIN FERULIC ACID METHYLATION
Ref.: STRUCTURAL BASIS FOR THE MODULATION OF LIGNIN MONOMER METHYLATION BY CAFFEIC ACID/5-HYDROXYFERULIC ACID 3/5-O-METHYLTRANSFERASE. PLANT CELL V. 14 1265 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1KYZ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 1KYW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3P9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 3P9I - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3P9C - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 1KYZ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 1KYW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3TKY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 6C5B - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5ICF - SAU C20 H14 N O4 C[n+]1cc2c....
3 5ICC - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5ICE - 2H4 C16 H17 N O4 c1cc(c(cc1....
5 3P9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3P9I - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 3P9C - SAH C14 H20 N6 O5 S c1nc(c2c(n....
8 1KYW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
9 1ZHF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 1ZGJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
11 1FP1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 6CIG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 4E70 Kd = 2.94 uM N7I C10 H12 O3 COc1cc(ccc....
14 4EVI - SAH C14 H20 N6 O5 S c1nc(c2c(n....
15 3TKY - 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KYZ; Ligand: SAH; Similar sites found with APoc: 732
This union binding pocket(no: 1) in the query (biounit: 1kyz.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3IHG FAD 1.09589
2 1H2B NAJ 1.11421
3 4MDH NAD 1.1976
4 5MDH NAD 1.2012
5 5NUF NAD 1.20482
6 2C49 ADN 1.3245
7 5G3U FDA 1.36986
8 5G3U ITW 1.36986
9 5ZYN FAD 1.36986
10 5Y77 FAD 1.36986
11 2AWN ADP 1.36986
12 1SB8 NAD 1.42045
13 1SB8 UD2 1.42045
14 1DSS NAD 1.5015
15 1U7T TDT 1.53257
16 5F7J ADE 1.5625
17 5BJX NAD 1.64384
18 5BJX UDP 1.64384
19 1FEC FAD 1.64384
20 4RSL FAD 1.64384
21 4JDR FAD 1.64384
22 3PT9 SAH 1.64384
23 2NVK FAD 1.64384
24 5KMS FAD 1.64384
25 5O9F 9ON 1.70455
26 5O9F NAD 1.70455
27 1VL8 NAP 1.87266
28 3ZVS MLI 1.875
29 5GT9 NAP 1.90114
30 4RVG SAM 1.91781
31 4RVG TYD 1.91781
32 5JJR SAH 1.91781
33 1V59 NAD 1.91781
34 2WPF FAD 1.91781
35 4EMI FAD 1.91781
36 4EMI NAD 1.91781
37 2WPF WPF 1.91781
38 1V59 FAD 1.91781
39 2VVL FAD 1.91781
40 3X01 AMP 1.91781
41 1U1I NAD 1.91781
42 3CGD NAD 1.91781
43 3LXD FAD 1.91781
44 5YF1 8V0 1.9337
45 5YF1 SFG 1.9337
46 2Q2V NAD 1.96078
47 2ZIF SAM 2.0202
48 1XHL NDP 2.0202
49 3H9E NAD 2.02312
50 2HMT NAI 2.08333
51 3JQ7 NAP 2.08333
52 3JQF NAP 2.08333
53 3BMN NAP 2.08333
54 3JQA NAP 2.08333
55 4CMI NAP 2.08333
56 4CLR NAP 2.08333
57 4CM9 NAP 2.08333
58 4CM4 NAP 2.08333
59 4CME NAP 2.08333
60 5JCJ NAP 2.08333
61 3JQ9 NAP 2.08333
62 5JDC NAP 2.08333
63 3JQB NAP 2.08333
64 4CM8 NAP 2.08333
65 3BMO NAP 2.08333
66 3JQG NAP 2.08333
67 5K6A NAP 2.08333
68 5JDI NAP 2.08333
69 3BMQ NAP 2.08333
70 3JQ8 NAP 2.08333
71 4CLO NAP 2.08333
72 4PLG OXM 2.09581
73 4PLG NAI 2.09581
74 4PLT NAI 2.1148
75 5KVA SAM 2.15827
76 6ECT SAM 2.18069
77 3QOX SAH 2.19178
78 1U2Z SAH 2.19178
79 5F2K OCA 2.19178
80 5F2K SAH 2.19178
81 2JJQ SAH 2.19178
82 3GD4 FAD 2.19178
83 3GD4 NAD 2.19178
84 1X87 NAD 2.19178
85 3E1T FAD 2.19178
86 2Y6Q I7T 2.19178
87 1NAA ABL 2.19178
88 2Y6Q FAD 2.19178
89 3CGB FAD 2.19178
90 5KF6 NAD 2.19178
91 1PN0 FAD 2.19178
92 1PN0 IPH 2.19178
93 1NW5 SAM 2.19436
94 3A4V PYR 2.2082
95 3A4V NAD 2.2082
96 2VZ0 NAP 2.23881
97 2VZ0 D64 2.23881
98 2WD7 NAP 2.23881
99 5OFW 9TW 2.24215
100 1H5Q NAP 2.26415
101 5OJI ISN 2.30769
102 5OJI NAP 2.30769
103 3QV1 NAD 2.37389
104 4ZCC FAD 2.38095
105 4ZCC NAI 2.38095
106 5MW4 5JU 2.39521
107 2EJU SAH 2.46575
108 4XFR CIT 2.46575
109 4KRI SAH 2.46575
110 4EUE NAI 2.46575
111 4RPL FAD 2.46575
112 4RPL 3UC 2.46575
113 4U8P FDA 2.46575
114 4U8P UDP 2.46575
115 5BVA FAD 2.46575
116 2HQM FAD 2.46575
117 4TM3 FAD 2.46575
118 4XQC 13D 2.46575
119 4XQC NAD 2.46575
120 2NPX FAD 2.46575
121 2NPX NAD 2.46575
122 2Z9I GLY ALA THR VAL 2.46914
123 4G5H NAP 2.47934
124 4G5H UD7 2.47934
125 5XLX SAH 2.48227
126 2G5C NAD 2.4911
127 1XKQ NDP 2.5
128 3OA2 NAD 2.51572
129 3VC1 GST 2.5641
130 3VC1 SAH 2.5641
131 2YY7 NAD 2.5641
132 5N53 8NB 2.5641
133 5EJ2 NAD 2.5974
134 3I6I NDP 2.60116
135 1VM6 NAD 2.63158
136 4NEC SAH 2.65152
137 1ZEM NAD 2.67176
138 3G2O SAM 2.67559
139 2JBM SRT 2.67559
140 4GKV NAD 2.67857
141 1Z3C SA8 2.68456
142 1U72 MTX 2.68817
143 1U72 NDP 2.68817
144 3A28 NAD 2.71318
145 3OID NDP 2.71318
146 4DSG UDP 2.73973
147 4DSG FAD 2.73973
148 2IVD FAD 2.73973
149 1BZL GCG 2.73973
150 1BZL FAD 2.73973
151 3GF4 UPG 2.73973
152 4MO2 FDA 2.73973
153 3GF4 FAD 2.73973
154 4MO2 FAD 2.73973
155 2BRY FAD 2.73973
156 3V1U NAD 2.73973
157 3RHJ NAP 2.73973
158 3S5W FAD 2.73973
159 6ER9 NAP 2.73973
160 4HXY NDP 2.73973
161 6ER9 FAD 2.73973
162 3HB5 NAP 2.75229
163 3LKZ SFG 2.80374
164 5YJI 8WO 2.8169
165 5YJI SAH 2.8169
166 3GEG NAD 2.83401
167 3QPB URA 2.83688
168 2VDV SAM 2.84553
169 6GAR FAD 2.86533
170 5JCM ISD 2.88248
171 5JCM NAD 2.88248
172 5JCM FAD 2.88248
173 5E9W SAH 2.88462
174 5E8J SAH 2.88462
175 3N8K D1X 2.90698
176 4O0L NDP 2.90909
177 4YUW 4JU 2.96053
178 4YUW S4M 2.96053
179 2YX1 SFG 2.97619
180 1ODJ GMP 2.97872
181 1KSK URA 2.99145
182 2Q1W NAD 3.003
183 2AQJ FAD 3.0137
184 2AQJ TRP 3.0137
185 4YKG FAD 3.0137
186 3TN7 NJP 3.0137
187 3G5S FAD 3.0137
188 4K5S FAD 3.0137
189 4K5S PM0 3.0137
190 3NTA FAD 3.0137
191 5DF1 NAP 3.0137
192 5DF1 58X 3.0137
193 6BWL NAD 3.04878
194 5Y1G NAD 3.04878
195 5Y1G AKB 3.04878
196 4IWN GEK 3.05677
197 5MIT NAP 3.0581
198 5MIT FAD 3.0581
199 1QG6 NAD 3.06513
200 1QG6 TCL 3.06513
201 1G60 SAM 3.07692
202 1VE3 SAM 3.0837
203 5UR0 NAD 3.15186
204 3FRH SAH 3.16206
205 1G0N NDP 3.18021
206 1G0N PHH 3.18021
207 4D42 W0I 3.19149
208 4D42 NAP 3.19149
209 4XJ2 FMN 3.19149
210 3G89 SAM 3.21285
211 2JAH NDP 3.23887
212 1UZN NAP 3.23887
213 2JAP NDP 3.23887
214 1Q1R FAD 3.24826
215 2AG5 NAD 3.25203
216 3MAG SAH 3.25733
217 3V1Y NAD 3.2641
218 1EDO NAP 3.27869
219 4Y9D NAI 3.27869
220 3SSO SAH 3.28767
221 4N49 SAM 3.28767
222 6D6Y SAH 3.28767
223 3VSE SAH 3.28767
224 4DMG SAM 3.28767
225 4CNK MEU 3.28767
226 4CNK FAD 3.28767
227 2IID FAD 3.28767
228 2IID PHE 3.28767
229 2RAB NAD 3.28767
230 2RAB FAD 3.28767
231 1UAY ADN 3.30579
232 5K0A FAD 3.33333
233 3MCT SAH 3.367
234 4YAC NAI 3.367
235 2CBZ ATP 3.37553
236 3C3Y SAH 3.37553
237 1TL2 NDG 3.38983
238 2XZ9 PYR 3.39506
239 3LCC SAH 3.40426
240 5FEU NAP 3.43643
241 2CUL FAD 3.44828
242 1R0X ATP 3.4965
243 4OBW SAM 3.50195
244 1FK8 NAD 3.50195
245 5FTW SAH 3.51562
246 2NXE SAM 3.54331
247 3FPF TNA 3.56164
248 3FPF MTA 3.56164
249 5T67 JHZ 3.56164
250 5T67 SAH 3.56164
251 6B3A SAM 3.56164
252 1I2B NAD 3.56164
253 1I2B UPG 3.56164
254 1I2B USQ 3.56164
255 3GDN FAD 3.56164
256 3HDY FDA 3.56164
257 3HDY GDU 3.56164
258 3LAD FAD 3.56164
259 2Q1S NAI 3.56164
260 3HDY FAD 3.56164
261 3EYA FAD 3.56164
262 5MLR NAP 3.56164
263 5MLR GRQ 3.56164
264 1H9A NAP 3.56164
265 3SJ7 NDP 3.57143
266 2V6G NAP 3.57143
267 4NTC FAD 3.58209
268 2P41 SAH 3.60656
269 4ONQ SFG 3.64146
270 1RKX NAD 3.64146
271 1AE1 NAP 3.663
272 3WV8 ATP 3.66972
273 1JQ3 AAT 3.71622
274 4ITU 1HS 3.71747
275 4ITU NAI 3.71747
276 2VT3 ATP 3.72093
277 5ULP KB1 3.73134
278 1GZ6 NAI 3.76176
279 3O03 NAP 3.78007
280 5JGL SAM 3.80623
281 1E3W NAD 3.83142
282 2EFJ SAH 3.83562
283 5X62 SAH 3.83562
284 3NDJ JHZ 3.83562
285 3NDJ SAH 3.83562
286 2CDU FAD 3.83562
287 5EB4 FAD 3.83562
288 4BV6 FAD 3.83562
289 5U8U FAD 3.83562
290 2IV2 2MD 3.83562
291 1H82 GZZ 3.83562
292 4HSU FAD 3.83562
293 1PS9 FAD 3.83562
294 2AE2 NAP 3.84615
295 2AE2 PTO 3.84615
296 1E6W NAD 3.84615
297 1DUG GSH 3.84615
298 5LOG SAH 3.86266
299 1UXG NAD 3.8835
300 1UXG FUM 3.8835
301 1EJ0 SAM 3.88889
302 5FFF 5XC 3.89105
303 5FFF NAP 3.89105
304 1RJD SAM 3.89222
305 2FR1 NDP 3.90947
306 4ZA2 NAD 3.95257
307 1BDB NAD 3.97112
308 4YRY FAD 3.98551
309 4YRY NAD 3.98551
310 1N2X SAM 3.98671
311 3FPZ AHZ 3.98773
312 4Y30 49L 3.9886
313 4Y30 SAH 3.9886
314 3FZG SAM 4
315 3O7W SAM 4.08163
316 6B92 SAH 4.08163
317 2EG5 SAH 4.10959
318 4LWP SAH 4.10959
319 1E1M FAD 4.10959
320 1E1M NAP 4.10959
321 6EL3 NAP 4.10959
322 4EIP FAD 4.10959
323 2GDZ NAD 4.11985
324 1UDB NAD 4.14201
325 1UDB UFG 4.14201
326 5IFK HPA 4.16667
327 4FZV SAM 4.17827
328 1WVG APR 4.17827
329 2ZFU SAH 4.18605
330 3WMX NAD 4.18994
331 3CH6 NAP 4.1958
332 3CH6 311 4.1958
333 1WG8 SAM 4.21053
334 2RH4 EMO 4.33213
335 3ELW SAM 4.33333
336 3ELW GP3 4.33333
337 1WY7 SAH 4.34783
338 2Q46 NAP 4.34783
339 3SBZ MLI 4.36508
340 1G55 SAH 4.37318
341 6C8R EQV 4.38356
342 6C8R SAH 4.38356
343 4DCM SAM 4.38356
344 1J78 OLA 4.38356
345 1RM0 NAI 4.38356
346 1RM0 D6P 4.38356
347 3LU1 NAD 4.38356
348 5ERG SAM 4.38356
349 2DKH FAD 4.38356
350 2DKH 3HB 4.38356
351 1KEW NAD 4.43213
352 1R6D DAU 4.45104
353 1R6D NAD 4.45104
354 3NUG NAD 4.45344
355 4WZ6 ATP 4.48276
356 5W7K SAH 4.48718
357 1IY8 NAD 4.49438
358 4BLW SAH 4.49827
359 4BLW AMP 4.49827
360 1KPH SAH 4.52962
361 2A14 SAH 4.56274
362 2EXX NAP 4.57516
363 5GWX SAR 4.57746
364 5GWX SAM 4.57746
365 3RKR NAP 4.58015
366 3DXY SAM 4.58716
367 1ZBQ NAD 4.58716
368 5UFN SAH 4.62185
369 3LCV SAM 4.62633
370 2JHP SAH 4.65753
371 5THZ SAH 4.65753
372 4Z24 FAD 4.65753
373 4J36 FAD 4.65753
374 4J36 1HR 4.65753
375 4MOP 2H5 4.65753
376 1ELI PYC 4.65753
377 4X9M FAD 4.65753
378 4HA6 FAD 4.65753
379 1T26 NAI 4.65839
380 1T26 GBD 4.65839
381 4EMJ FAD 4.6729
382 1GEG NAD 4.6875
383 5OVK NDP 4.6875
384 5GVR LMR 4.70085
385 4JNA FAD 4.70588
386 5TCI MLI 4.71014
387 3KIF GDL 4.71698
388 1RJW ETF 4.71976
389 3GRU AMP 4.74576
390 6GFK SAH 4.78088
391 3H8V ATP 4.79452
392 4QTU SAM 4.80769
393 2UYQ SAM 4.83871
394 1I1N SAH 4.86726
395 6ARJ BW4 4.87106
396 5DWQ SFG 4.87106
397 6ARJ SAH 4.87106
398 5DX8 SFG 4.87106
399 5DX1 SFG 4.87106
400 5DXA SFG 4.87106
401 5DX0 SFG 4.87106
402 1KPG SAH 4.87805
403 1OC2 TDX 4.88506
404 1OC2 NAD 4.88506
405 6MPT C30 4.8951
406 1ORR NAD 4.89914
407 1ZQ9 SAM 4.91228
408 5O42 NAD 4.93151
409 5O42 9JW 4.93151
410 5O42 BGC 4.93151
411 3CV2 OXL 4.93151
412 3K7M FAD 4.93151
413 1RLZ NAD 4.93151
414 2A92 NAI 4.93151
415 5TWB FAD 4.94186
416 3QH2 3NM 4.97738
417 5U19 SAH 4.98534
418 5U19 827 4.98534
419 4USQ FAD 4.98615
420 3BGD PM6 5
421 3BGD SAH 5
422 4NTD FAD 5
423 2HNK SAH 5.02092
424 3OU2 SAH 5.04587
425 3EVF SAH 5.05415
426 3EVF GTA 5.05415
427 3MB5 SAM 5.09804
428 1JA9 NDP 5.10949
429 2WSB NAD 5.11811
430 2AOT SAH 5.13699
431 1JQD HSM 5.13699
432 1JQD SAH 5.13699
433 5THQ NDP 5.14706
434 3BJE URA 5.15759
435 2CVQ NDP 5.19878
436 1BC5 SAH 5.20446
437 5MPT SAH 5.20548
438 5XNC MTA 5.20548
439 1I8T FAD 5.20548
440 5L13 6ZE 5.20548
441 5UAO FAD 5.20548
442 3QJ4 FAD 5.26316
443 1F3L SAH 5.29595
444 5Z2L NDP 5.30612
445 1QAN SAH 5.32787
446 2BD0 NAP 5.32787
447 1PR9 NAP 5.32787
448 3D3W NAP 5.32787
449 5TQZ GLC 5.33333
450 5FUB SAH 5.34125
451 4CQM NAP 5.36398
452 5N0J FAD 5.41311
453 3BXO SAM 5.43933
454 3GCZ SAM 5.47945
455 5VN0 FAD 5.47945
456 5VN0 NAI 5.47945
457 1GPE FAD 5.47945
458 1SOW NAD 5.4878
459 4M38 SAH 5.53936
460 4M37 SAH 5.53936
461 3QWI CUE 5.55556
462 3QWI NAP 5.55556
463 1XXR MAN 5.59006
464 2BZG SAH 5.60345
465 4X60 3XV 5.71429
466 4X60 SFG 5.71429
467 1XG5 NAP 5.73477
468 2XYQ SAH 5.7377
469 5DNK SAH 5.75342
470 5FA5 MTA 5.75342
471 5W7M SAH 5.76923
472 4ZRN NAD 5.76923
473 4ZRN UPG 5.76923
474 5ZW3 SAH 5.77778
475 5E72 SAM 5.78035
476 6FA4 D1W 5.78035
477 4R6W PC 5.81395
478 4R6W SAH 5.81395
479 2PWY SAH 5.81395
480 3DUW SAH 5.8296
481 3VZS NAP 5.83658
482 3VZS CAA 5.83658
483 3VYW SAM 5.84416
484 6F9Q NAD 5.88235
485 4YAG NAI 5.88235
486 4BWL MN9 5.92105
487 5THY SAH 5.92593
488 6GKV SAH 5.98291
489 1NV8 SAM 5.98592
490 1NV8 MEQ 5.98592
491 2WET FAD 6.0274
492 3L9W AMP 6.0274
493 1YY5 FAD 6.0274
494 1GTE FAD 6.0274
495 1XHC FAD 6.0274
496 3L9W GSH 6.0274
497 2WK1 SAH 6.02837
498 6BQ6 TER 6.0423
499 5FUI APY 6.06061
500 2PZM UDP 6.06061
501 2PZM NAD 6.06061
502 3PFG SAM 6.08365
503 3PFG TLO 6.08365
504 1XSE NDP 6.1017
505 4GQB 0XU 6.10465
506 2Q0L FAD 6.10932
507 3TLJ SAH 6.16622
508 2O07 SPD 6.25
509 2O07 MTA 6.25
510 3K0T BGC 6.29371
511 4C4A SAH 6.30137
512 3RNM FAD 6.30137
513 3CTY FAD 6.30137
514 6ECU SAH 6.32911
515 5YRG BGC GLC 6.33803
516 6ECW SAH 6.34921
517 3ZV6 4HB 6.40569
518 3ZV6 NAD 6.40569
519 3CIF NAD 6.40669
520 3CIF G3H 6.40669
521 2DTX BMA 6.43939
522 4POO SAM 6.5
523 2OBF F83 6.57439
524 2OBF SAH 6.57439
525 1KC7 PPR 6.57534
526 2E5V FAD 6.57534
527 2QA1 FAD 6.57534
528 1Z45 NAD 6.57534
529 6FDF SAH 6.58683
530 5K7U SAM 6.66667
531 2B4R NAD 6.66667
532 2B4R AES 6.66667
533 1LLU NAD 6.72515
534 3U4C NDP 6.76157
535 1L3I SAH 6.77083
536 1I9G SAM 6.78571
537 5BSZ SAH 6.8
538 6C5F 7L9 6.83761
539 4AZW SAM 6.84932
540 4UCI SAM 6.84932
541 1VKO NAD 6.84932
542 3C6K SPD 6.84932
543 3C6K MTA 6.84932
544 6F7L FAD 6.84932
545 4Z0H NAD 6.88623
546 1R18 SAH 7.04846
547 2PX8 SAH 7.0632
548 1RDL MMA 7.07965
549 1FL2 FAD 7.09677
550 3X0D SAH 7.12329
551 3S1S SAH 7.12329
552 1GY8 NAD 7.12329
553 2ZXI FAD 7.12329
554 5AHO TLA 7.14286
555 5ODQ 9SB 7.14286
556 2BGM NAJ 7.19424
557 4K26 SFF 7.24638
558 4K26 NDP 7.24638
559 3EVG SAH 7.27273
560 1EFV FAD 7.30159
561 1EFV AMP 7.30159
562 5WUW NAP 7.31707
563 2Q7V FAD 7.38462
564 2WOX NDP 7.39726
565 2WME NAP 7.39726
566 4TQG NDP 7.43034
567 3T7S SAM 7.46269
568 6CEP NAD 7.48503
569 5CUQ NSC 7.49064
570 5IL1 SAM 7.54717
571 6F97 FAD 7.67123
572 6CI9 NAP 7.72201
573 3F8D FAD 7.73994
574 1IM8 SAI 7.78689
575 1E6E FAD 7.8125
576 3A4T SFG 8.0292
577 5E5U MLI 8.0402
578 5FA8 SAM 8.07453
579 3A27 SAM 8.08823
580 5JAQ NAI 8.21918
581 5JWC FAD 8.21918
582 1UP7 NAD 8.21918
583 4FN4 NAD 8.26772
584 3JWH SAH 8.29493
585 3OFK SAH 8.33333
586 1ZK4 NAP 8.36653
587 1ZK4 AC0 8.36653
588 4ZVV NAD 8.43373
589 4ZVV GN0 8.43373
590 2DPM SAM 8.4507
591 5T2U NAP 8.46774
592 5MGZ SAH 8.47458
593 3EWP APR 8.47458
594 4URS C2E 8.51064
595 2XVM SAH 8.54271
596 3ITJ FAD 8.57988
597 1JNR FAD 8.66667
598 5M58 SAH 8.69565
599 1ZOS MTM 8.69565
600 5L95 AMP 8.75
601 4D7E FAD 8.76712
602 5GG9 8GM 8.77193
603 5JE0 SAH 8.90688
604 5JE0 AZ8 8.90688
605 3H4V NAP 9.02778
606 3H4V DVP 9.02778
607 3ICR FAD 9.0411
608 3ICT FAD 9.0411
609 4NBT NAD 9.16667
610 2GN4 NDP 9.30233
611 2GN4 UD1 9.30233
612 3DMH GMP 9.31507
613 3DMH SAM 9.31507
614 5BUK FAD 9.31507
615 3P2E SAH 9.33333
616 5HJM MTA 9.375
617 2FK8 SAM 9.43396
618 5Z75 NAD 9.48012
619 3RF4 FUN 9.48276
620 4X7Y SAH 9.48905
621 1BXK NAD 9.57747
622 5WP5 SAH 9.58904
623 2G30 ALA ALA PHE 9.68992
624 5N5D SAM 9.73451
625 4II2 ATP 9.81595
626 3GU3 SAH 9.85915
627 6F5W KG1 9.86301
628 2GJ5 VD3 9.87654
629 4PNE SAH 9.93377
630 5J60 FAD 10
631 5BW4 SAM 10.1124
632 1NFQ NAI 10.3846
633 4NBU NAI 10.4
634 5DM1 5D7 10.4869
635 5DM1 SAH 10.4869
636 3LGS ADE 10.4869
637 5DLY 5D7 10.5263
638 5DLY SAH 10.5263
639 4PIO AVI 10.5263
640 4PIO SAH 10.5263
641 1SQF SAM 10.6849
642 1UWK NAD 10.6849
643 1UWK URO 10.6849
644 2WCU FUC 10.7383
645 3GDH SAH 10.7884
646 2WA2 SAM 10.8696
647 5JCA FAD 10.9155
648 5JCA NDP 10.9155
649 5WP4 SAH 10.9589
650 2ZWA SAH 11.2329
651 5F8F SFG 11.2329
652 1GET NAP 11.2329
653 1GET FAD 11.2329
654 1TV5 N8E 11.2329
655 5F6U 5VK 11.465
656 3MQ2 SAH 11.4679
657 1R37 NAD 11.5274
658 1MXH NAP 11.5942
659 1MXH DHF 11.5942
660 3H2B SAH 11.8227
661 1Q0S SAH 11.9691
662 5CIC 51R 12.037
663 4KRG SAH 12.0548
664 4URF NAD 12.0968
665 2GAG NAD 12.1212
666 3EGI ADP 12.1359
667 4J56 FAD 12.2807
668 5YJF SAH 12.6761
669 5YJF 8WO 12.6761
670 4WGF HX2 12.6829
671 1Y8Q ATP 12.7168
672 4NBW NAD 12.8405
673 1O97 FAD 12.8788
674 1O97 AMP 12.8788
675 2PT9 2MH 13.0841
676 2PT9 S4M 13.0841
677 2NU5 NAG 13.1148
678 2NUO BGC 13.1148
679 2GUD BMA 13.1148
680 2HYQ MAN MAN 13.1148
681 2HYR BGC GLC 13.1148
682 2GUD MAN 13.1148
683 2GUC MAN 13.1148
684 4YMH SAH 13.3333
685 5KOK S9T 13.4247
686 5KOK SAH 13.4247
687 5KOK R9T 13.4247
688 2PXX SAH 13.4884
689 5CLO NS8 13.5593
690 6F5Z SAH 13.8528
691 3AD8 NAD 14.1414
692 1DL5 SAH 14.1956
693 4KIB SAH 14.2857
694 4M73 SAH 14.5401
695 4M73 M72 14.5401
696 2I7C AAT 14.841
697 6DUB SAH 14.8649
698 1XCL SAH 14.8936
699 5FWA J7C 15.3425
700 3KIH GDL 15.4639
701 3FUU ADN 15.4982
702 2EWM NAD 16.8675
703 1XTP SAI 16.9291
704 1P1C SAH 17.5879
705 5GM1 SAH 18.5185
706 1EZ4 NAD 18.5535
707 1JG3 ADN 19.1489
708 1LSS NAD 19.2857
709 3Q87 SAM 19.4118
710 1TPY SAH 20.5575
711 1L1E SAH 20.9059
712 4XUC 43G 21.5596
713 4XUC SAM 21.5596
714 3HVJ 705 22.1719
715 2F5Z FAD 25
716 5W7R SAH 26.0274
717 5EEH P9P 26.0274
718 5EEH SAH 26.0274
719 5W7R 9Z7 26.0274
720 5E1M SAH 26.1411
721 5E1M PRO PRO LYS ARG ILE ALA 26.1411
722 1XDS SAM 26.3014
723 2CFC NAD 26.4
724 1QZZ SAM 26.4706
725 3GWZ SAH 30.3523
726 3GXO SAH 30.3523
727 3LST SAH 37.6437
728 3I53 SAH 40.9639
729 4A6D SAM 42.2096
730 4E70 N7I 46.3014
731 6C5B SAH 48.3871
732 1ZGA SAH 48.4594
733 1FP2 SAH 50
734 1FP2 HMO 50
Pocket No.: 2; Query (leader) PDB : 1KYZ; Ligand: SAH; 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: 1kyz.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1KYZ; Ligand: FER; Similar sites found with APoc: 258
This union binding pocket(no: 3) in the query (biounit: 1kyz.bio2) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 2C49 ADN 1.3245
2 1U7T TDT 1.53257
3 5F7J ADE 1.5625
4 3PT9 SAH 1.64384
5 5JJR SAH 1.91781
6 1V59 NAD 1.91781
7 5YF1 8V0 1.9337
8 5YF1 SFG 1.9337
9 2ZIF SAM 2.0202
10 5AEW BNL 2.12766
11 6ECT SAM 2.18069
12 5F2K OCA 2.19178
13 5F2K SAH 2.19178
14 2JJQ SAH 2.19178
15 3QOX SAH 2.19178
16 1U2Z SAH 2.19178
17 5MW4 5JU 2.39521
18 4KRI SAH 2.46575
19 4XFR CIT 2.46575
20 2EJU SAH 2.46575
21 5XLX SAH 2.48227
22 3VC1 SAH 2.5641
23 3VC1 GST 2.5641
24 4NEC SAH 2.65152
25 1ZEM NAD 2.67176
26 3G2O SAM 2.67559
27 1Z3C SA8 2.68456
28 1E4I NFG 2.73973
29 3LKZ SFG 2.80374
30 3GEG NAD 2.83401
31 3QPB URA 2.83688
32 2VDV SAM 2.84553
33 5E9W SAH 2.88462
34 5E8J SAH 2.88462
35 4YUW 4JU 2.96053
36 4YUW S4M 2.96053
37 2YX1 SFG 2.97619
38 1ODJ GMP 2.97872
39 4IWN GEK 3.05677
40 1VE3 SAM 3.0837
41 3FRH SAH 3.16206
42 1G0N NDP 3.18021
43 1G0N PHH 3.18021
44 3G89 SAM 3.21285
45 1UZN NAP 3.23887
46 4Y9D NAI 3.27869
47 4N49 SAM 3.28767
48 6D6Y SAH 3.28767
49 3VSE SAH 3.28767
50 4DMG SAM 3.28767
51 3SSO SAH 3.28767
52 1Q8A HCS 3.28767
53 1UAY ADN 3.30579
54 5K0A FAD 3.33333
55 4YAC NAI 3.367
56 3LCC SAH 3.40426
57 4OBW SAM 3.50195
58 5FTW SAH 3.51562
59 2NXE SAM 3.54331
60 6B3A SAM 3.56164
61 1I2B USQ 3.56164
62 1I2B NAD 3.56164
63 1I2B UPG 3.56164
64 2P41 SAH 3.60656
65 4ONQ SFG 3.64146
66 5ULP KB1 3.73134
67 5JGL SAM 3.80623
68 2EFJ SAH 3.83562
69 5X62 SAH 3.83562
70 5LOG SAH 3.86266
71 1EJ0 SAM 3.88889
72 1RJD SAM 3.89222
73 3FZG SAM 4
74 3O7W SAM 4.08163
75 4LWP SAH 4.10959
76 2EG5 SAH 4.10959
77 1UDB UFG 4.14201
78 1UDB NAD 4.14201
79 2ZFU SAH 4.18605
80 3ELW GP3 4.33333
81 3ELW SAM 4.33333
82 1WY7 SAH 4.34783
83 3SBZ MLI 4.36508
84 1G55 SAH 4.37318
85 6C8R EQV 4.38356
86 6C8R SAH 4.38356
87 4DCM SAM 4.38356
88 5ERG SAM 4.38356
89 4QAR ADE 4.47761
90 5W7K SAH 4.48718
91 3RKR NAP 4.58015
92 3DXY SAM 4.58716
93 5UFN SAH 4.62185
94 3LCV SAM 4.62633
95 2JHP SAH 4.65753
96 5THZ SAH 4.65753
97 5OVK NDP 4.6875
98 1VMK GUN 4.69314
99 5GVR LMR 4.70085
100 1RJW ETF 4.71976
101 3H8V ATP 4.79452
102 4QTU SAM 4.80769
103 2UYQ SAM 4.83871
104 5DX1 SFG 4.87106
105 6ARJ BW4 4.87106
106 5DX8 SFG 4.87106
107 5DXA SFG 4.87106
108 6ARJ SAH 4.87106
109 5DX0 SFG 4.87106
110 5DWQ SFG 4.87106
111 1ORR NAD 4.89914
112 1ZQ9 SAM 4.91228
113 3CV2 OXL 4.93151
114 5O42 BGC 4.93151
115 5O42 9JW 4.93151
116 5O42 NAD 4.93151
117 5U19 827 4.98534
118 5U19 SAH 4.98534
119 3BGD SAH 5
120 3BGD PM6 5
121 3OU2 SAH 5.04587
122 3EVF GTA 5.05415
123 3EVF SAH 5.05415
124 2OZ5 7XY 5.06757
125 3MB5 SAM 5.09804
126 2AOT SAH 5.13699
127 1JQD HSM 5.13699
128 1JQD SAH 5.13699
129 5MPT SAH 5.20548
130 5XNC MTA 5.20548
131 5HSS 64Z 5.20548
132 1F3L SAH 5.29595
133 1QAN SAH 5.32787
134 5FUB SAH 5.34125
135 4CQM NAP 5.36398
136 5N0J FAD 5.41311
137 3BXO SAM 5.43933
138 3GCZ SAM 5.47945
139 4M38 SAH 5.53936
140 3QWI CUE 5.55556
141 3QWI NAP 5.55556
142 1XXR MAN 5.59006
143 2BZG SAH 5.60345
144 4X60 3XV 5.71429
145 4X60 SFG 5.71429
146 2XYQ SAH 5.7377
147 5DNK SAH 5.75342
148 5FA5 MTA 5.75342
149 5W7M SAH 5.76923
150 5ZW3 SAH 5.77778
151 4R6W PC 5.81395
152 4R6W SAH 5.81395
153 2PWY SAH 5.81395
154 3VYW SAM 5.84416
155 5THY SAH 5.92593
156 6GKV SAH 5.98291
157 3PFG SAM 6.08365
158 3PFG TLO 6.08365
159 4GQB 0XU 6.10465
160 3TLJ SAH 6.16622
161 2WPB ZZI 6.25
162 4C4A SAH 6.30137
163 6ECU SAH 6.32911
164 6ECW SAH 6.34921
165 6FDF SAH 6.58683
166 3U4C NDP 6.76157
167 5BSZ SAH 6.8
168 4AZW SAM 6.84932
169 4UCI SAM 6.84932
170 1R18 SAH 7.04846
171 2PX8 SAH 7.0632
172 5AHO TLA 7.14286
173 3EVG SAH 7.27273
174 4TQG NDP 7.43034
175 3T7S SAM 7.46269
176 5CUQ NSC 7.49064
177 4FLP JQ1 7.56302
178 1IM8 SAI 7.78689
179 3A4T SFG 8.0292
180 5FA8 SAM 8.07453
181 5JAQ NAI 8.21918
182 3JWH SAH 8.29493
183 5MGZ SAH 8.47458
184 2XVM SAH 8.54271
185 5M58 SAH 8.69565
186 1ZOS MTM 8.69565
187 4KTP BGC 8.76712
188 5JE0 SAH 8.90688
189 5JE0 AZ8 8.90688
190 2GN4 NDP 9.30233
191 2GN4 UD1 9.30233
192 3DMH SAM 9.31507
193 3P2E SAH 9.33333
194 5HJM MTA 9.375
195 5WP5 SAH 9.58904
196 3GU3 SAH 9.85915
197 4PNE SAH 9.93377
198 5BW4 SAM 10.1124
199 5DM1 5D7 10.4869
200 5DM1 SAH 10.4869
201 3LGS ADE 10.4869
202 5DLY SAH 10.5263
203 5DLY 5D7 10.5263
204 4PIO AVI 10.5263
205 4PIO SAH 10.5263
206 1SQF SAM 10.6849
207 3GDH SAH 10.7884
208 2WA2 SAM 10.8696
209 5WP4 SAH 10.9589
210 2NU8 COA 11.1111
211 5F8F SFG 11.2329
212 2ZWA SAH 11.2329
213 3MQ2 SAH 11.4679
214 3H2B SAH 11.8227
215 5CIC 51R 12.037
216 4KRG SAH 12.0548
217 3EGI ADP 12.1359
218 2NU5 NAG 13.1148
219 2HYQ MAN MAN 13.1148
220 2NUO BGC 13.1148
221 2GUD BMA 13.1148
222 2HYR BGC GLC 13.1148
223 2GUC MAN 13.1148
224 2GUD MAN 13.1148
225 4YMH SAH 13.3333
226 5KOK S9T 13.4247
227 5KOK R9T 13.4247
228 5KOK SAH 13.4247
229 2PXX SAH 13.4884
230 6F5Z SAH 13.8528
231