Receptor
PDB id Resolution Class Description Source Keywords
4EVI 2.02 Å EC: 2.-.-.- CRYSTAL STRUCTURE ANALYSIS OF CONIFERYL ALCOHOL 9-O-METHYLTR FROM LINUM NODIFLORUM IN COMPLEX WITH CONIFERYL ALCOHOL 9-ME THER AND S -ADENOSYL-L-HOMOCYSTEINE LINUM NODIFLORUM ROSSMANN FOLD DIMER SMALL MOLECULE O-METHYLTRANSFERASE TRANSFERASE S-ADENOSYL-L-METHIONINE CONIFERYL ALCOHOLS -L-HOMOCYSTEINE
Ref.: STRUCTURAL ANALYSIS OF CONIFERYL ALCOHOL 9-O-METHYLTRANSFERASE FROM LINUM NODIFLORUM REVEALS ACTIVE-SITE ENVIRONMENT. ACTA CRYSTALLOGR.,SECT.D V. 69 888 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:403;
A:403;
B:402;
B:404;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SAH A:401;
Valid;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
C9M A:402;
Valid;
none;
submit data
194.227 C11 H14 O3 COC/C...
N7I B:401;
Valid;
none;
submit data
180.2 C10 H12 O3 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4E70 1.61 Å EC: 2.-.-.- CRYSTAL STRUCTURE ANALYSIS OF CONIFERYL ALCOHOL 9-O-METHYLTR FROM LINUM NODIFLORUM IN COMPLEX WITH CONIFERYL ALCOHOL LINUM NODIFLORUM S-ADENOSYL-L-METHIONINE SMALL MOLECULE O-METHYLTRANSFERASECONIFERYL ALCOHOL TRANSFERASE DIMER ROSSMANN FOLD
Ref.: STRUCTURAL ANALYSIS OF CONIFERYL ALCOHOL 9-O-METHYLTRANSFERASE FROM LINUM NODIFLORUM REVEALS ACTIVE-SITE ENVIRONMENT. ACTA CRYSTALLOGR.,SECT.D V. 69 888 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 4E70 Kd = 2.94 uM N7I C10 H12 O3 COc1cc(ccc....
2 4EVI - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 4E70 Kd = 2.94 uM N7I C10 H12 O3 COc1cc(ccc....
2 4EVI - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 6C5B - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 6YJW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 5ICF - SAU C20 H14 N O4 C[n+]1cc2c....
4 5ICC - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 5ICE - 2H4 C16 H17 N O4 c1cc(c(cc1....
6 3P9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 3P9I - SAH C14 H20 N6 O5 S c1nc(c2c(n....
8 3P9C - SAH C14 H20 N6 O5 S c1nc(c2c(n....
9 1KYW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 1ZHF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
11 1ZGJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 1FP1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 6CIG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 4E70 Kd = 2.94 uM N7I C10 H12 O3 COc1cc(ccc....
15 4EVI - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 3TKY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SAH; Similar ligands found: 256
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 U4Y 0.64 0.956522
11 SFG 0.635294 0.954545
12 SA8 0.62069 0.915493
13 EEM 0.617977 0.890411
14 MTA 0.615385 0.869565
15 SAI 0.613636 0.955882
16 S7M 0.586957 0.916667
17 36A 0.586538 0.90411
18 K15 0.583333 0.878378
19 ADN 0.573333 0.84058
20 RAB 0.573333 0.84058
21 XYA 0.573333 0.84058
22 62X 0.572917 0.855263
23 5CD 0.571429 0.852941
24 0UM 0.5625 0.876712
25 5N5 0.558442 0.84058
26 A4D 0.551282 0.867647
27 KYE 0.54902 0.866667
28 SAM 0.537634 0.916667
29 SSA 0.536842 0.712644
30 SMM 0.536842 0.88
31 KB1 0.534653 0.902778
32 A5D 0.532609 0.857143
33 SIB 0.53125 0.928571
34 EP4 0.530864 0.819444
35 DSZ 0.530612 0.732558
36 GSU 0.53 0.752941
37 LMS 0.529412 0.694118
38 AMP 0.529412 0.763158
39 A 0.529412 0.763158
40 5CA 0.525773 0.712644
41 ME8 0.524752 0.8125
42 M2T 0.52439 0.821918
43 6RE 0.523256 0.824324
44 GJV 0.522727 0.813333
45 OZP 0.518519 0.915493
46 AAT 0.515789 0.863014
47 LSS 0.515152 0.696629
48 KAA 0.514852 0.727273
49 KXW 0.514019 0.915493
50 NWW 0.5125 0.80597
51 J7C 0.511364 0.835616
52 KG4 0.51087 0.769231
53 A5A 0.510417 0.697674
54 AMP MG 0.505747 0.773333
55 SON 0.505495 0.805195
56 SRP 0.505155 0.805195
57 F0P 0.504505 0.915493
58 KH3 0.5 0.866667
59 HY8 0.5 0.890411
60 CA0 0.5 0.769231
61 AMO 0.5 0.805195
62 54H 0.5 0.681818
63 ADX 0.5 0.694118
64 5AL 0.5 0.779221
65 VMS 0.5 0.681818
66 N37 0.495495 0.9
67 HZ2 0.495413 0.890411
68 NVA LMS 0.49505 0.707865
69 AHX 0.49505 0.753086
70 TSB 0.494949 0.689655
71 53H 0.494949 0.674157
72 G5A 0.494737 0.712644
73 45A 0.494382 0.74359
74 ABM 0.494382 0.74359
75 A2D 0.494382 0.74359
76 ZAS 0.494253 0.808219
77 A6D 0.490196 0.759494
78 GEK 0.49 0.956522
79 8QN 0.49 0.779221
80 GAP 0.489583 0.769231
81 A3S 0.48913 0.884058
82 AN2 0.48913 0.734177
83 S4M 0.488889 0.831169
84 SRA 0.488636 0.746835
85 EU9 0.486486 0.825
86 LAD 0.485437 0.810127
87 52H 0.484848 0.674157
88 V2G 0.484536 0.753086
89 BA3 0.483516 0.74359
90 AP2 0.483516 0.759494
91 A12 0.483516 0.759494
92 AOC 0.483146 0.842857
93 NEC 0.483146 0.788732
94 Y3J 0.481481 0.768116
95 VRT 0.479167 0.861111
96 50T 0.478723 0.734177
97 AP5 0.478261 0.74359
98 ADP 0.478261 0.74359
99 5AS 0.478261 0.655556
100 B4P 0.478261 0.74359
101 Q34 0.477876 0.866667
102 Q2M 0.477876 0.916667
103 A3N 0.477778 0.830986
104 YSA 0.476636 0.712644
105 XAH 0.476636 0.768293
106 8LH 0.474747 0.759494
107 V47 0.474747 0.882353
108 0XU 0.473684 0.897059
109 AT4 0.473118 0.7375
110 ADP MG 0.473118 0.763158
111 ADP BEF 0.473118 0.763158
112 J4G 0.471154 0.818182
113 WAQ 0.471154 0.807692
114 NSS 0.470588 0.712644
115 8LE 0.469388 0.75
116 5AD 0.468354 0.791045
117 AU1 0.468085 0.725
118 M33 0.468085 0.734177
119 MAO 0.467391 0.797468
120 NB8 0.466667 0.775
121 A3G 0.466667 0.871429
122 N5O 0.466667 0.857143
123 TXA 0.466667 0.759494
124 3AM 0.465909 0.727273
125 Q2V 0.465517 0.902778
126 QA7 0.465347 0.75
127 8X1 0.465347 0.707865
128 DAL AMP 0.465347 0.779221
129 8LQ 0.465347 0.782051
130 A3T 0.463158 0.842857
131 ATP 0.463158 0.74359
132 ACP 0.463158 0.746835
133 HEJ 0.463158 0.74359
134 7D7 0.4625 0.785714
135 QXP 0.460784 0.697674
136 9ZA 0.460784 0.740741
137 9ZD 0.460784 0.740741
138 APR 0.458333 0.766234
139 5FA 0.458333 0.74359
140 PRX 0.458333 0.746835
141 APC 0.458333 0.759494
142 AQP 0.458333 0.74359
143 AR6 0.458333 0.766234
144 F2R 0.457627 0.75
145 R2V 0.457143 0.697674
146 IOT 0.456897 0.761905
147 N5A 0.456522 0.855072
148 PAJ 0.456311 0.722892
149 4AD 0.456311 0.794872
150 WSA 0.45614 0.72093
151 HQG 0.455446 0.75641
152 NWQ 0.454545 0.782609
153 Q2P 0.453782 0.866667
154 8PZ 0.453704 0.712644
155 FA5 0.453704 0.805195
156 AGS 0.453608 0.728395
157 APC MG 0.453608 0.766234
158 RBY 0.453608 0.782051
159 ATP MG 0.453608 0.763158
160 AD9 0.453608 0.725
161 ADV 0.453608 0.782051
162 NVA 2AD 0.453608 0.849315
163 ADP PO3 0.453608 0.763158
164 PTJ 0.45283 0.731707
165 MHZ 0.452632 0.797468
166 00A 0.451923 0.740741
167 A3P 0.451613 0.74026
168 YLP 0.451327 0.771084
169 7MD 0.45045 0.768293
170 ALF ADP 0.45 0.707317
171 BEF ADP 0.44898 0.74359
172 2VA 0.447917 0.819444
173 H1Q 0.447917 0.753247
174 LEU LMS 0.447619 0.724138
175 QXG 0.447619 0.689655
176 OOB 0.446602 0.779221
177 ACQ 0.444444 0.746835
178 T99 0.444444 0.7375
179 TAT 0.444444 0.7375
180 ANP 0.444444 0.725
181 P5A 0.443396 0.719101
182 7D5 0.443182 0.708861
183 A1R 0.442308 0.7625
184 YLC 0.439655 0.790123
185 2AM 0.438202 0.717949
186 DLL 0.438095 0.779221
187 ARG AMP 0.4375 0.759036
188 KY2 0.436893 0.84
189 D3Y 0.436893 0.859155
190 A22 0.436893 0.734177
191 ANP MG 0.435644 0.734177
192 VO4 ADP 0.435644 0.725
193 ATF 0.435644 0.716049
194 MYR AMP 0.435185 0.746988
195 80F 0.434426 0.75
196 SO8 0.434343 0.808219
197 OAD 0.433962 0.769231
198 3UK 0.433962 0.769231
199 TAD 0.433628 0.765432
200 25A 0.432692 0.74359
201 6YZ 0.431373 0.746835
202 9SN 0.431193 0.731707
203 TYM 0.431034 0.805195
204 PR8 0.429907 0.8
205 B5V 0.429907 0.759494
206 KYB 0.428571 0.84
207 ADQ 0.428571 0.746835
208 YLB 0.42735 0.771084
209 1ZZ 0.425926 0.746988
210 9K8 0.425926 0.67033
211 3OD 0.425926 0.769231
212 FYA 0.425926 0.779221
213 PPS 0.425743 0.674419
214 JNT 0.424528 0.746835
215 B1U 0.423423 0.638298
216 MAP 0.423077 0.707317
217 4YB 0.421053 0.735632
218 A2P 0.421053 0.727273
219 9X8 0.420561 0.75
220 ADP BMA 0.420561 0.746835
221 OZV 0.419048 0.74359
222 5SV 0.419048 0.731707
223 YLA 0.416667 0.771084
224 3NZ 0.416667 0.824324
225 NX8 0.415842 0.875
226 KL2 0.41573 0.692308
227 8Q2 0.415254 0.688889
228 A3R 0.415094 0.7625
229 B5M 0.414414 0.75
230 B5Y 0.414414 0.75
231 LPA AMP 0.413793 0.768293
232 48N 0.413793 0.753086
233 AYB 0.413223 0.761905
234 ACK 0.413043 0.710526
235 QQY 0.413043 0.696203
236 JB6 0.412844 0.7625
237 BIS 0.412844 0.719512
238 K2H 0.411215 0.797297
239 PAP 0.41 0.730769
240 KY5 0.409091 0.887324
241 DQV 0.408696 0.75641
242 OVE 0.408602 0.7125
243 4UV 0.40708 0.75
244 AMP DBH 0.40708 0.746835
245 3AD 0.406977 0.852941
246 OMR 0.40678 0.738095
247 AF3 ADP 3PG 0.40678 0.743902
248 K38 0.405405 0.797297
249 LAQ 0.405172 0.768293
250 K2K 0.40367 0.875
251 7C5 0.403509 0.789474
252 7MC 0.403361 0.75
253 K3K 0.401786 0.797297
254 KOY 0.401709 0.847222
255 NWZ 0.4 0.861111
256 4UU 0.4 0.75
Ligand no: 2; Ligand: C9M; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 C9M 1 1
2 N7I 0.688889 0.827586
3 H7Y 0.613636 0.740741
4 EUG 0.613636 0.740741
5 CIY 0.595745 0.714286
6 GJK 0.54 0.75
7 FER 0.54 0.645161
8 V55 0.521739 0.678571
9 ZYC 0.491228 0.806452
10 4M4 0.489362 0.678571
11 CUR 0.442623 0.647059
12 PWF 0.4 0.705882
Ligand no: 3; Ligand: N7I; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 N7I 1 1
2 C9M 0.688889 0.827586
3 H7Y 0.682927 0.703704
4 EUG 0.682927 0.703704
5 CIY 0.586957 0.740741
6 GJK 0.5625 0.714286
7 FER 0.5625 0.724138
8 V55 0.511111 0.703704
9 4M4 0.511111 0.703704
10 ZYC 0.509091 0.774194
11 CUR 0.457627 0.666667
12 PWF 0.411765 0.727273
Similar Ligands (3D)
Ligand no: 1; Ligand: SAH; Similar ligands found: 15
No: Ligand Similarity coefficient
1 HCE 0.9148
2 GMD 0.9105
3 IDP 0.8930
4 GDP 0.8927
5 2EL 0.8907
6 GDP MG 0.8895
7 CUU 0.8893
8 BIG 0.8840
9 M7G 0.8830
10 DAT 0.8738
11 UC5 0.8671
12 4CT 0.8669
13 DTP 0.8653
14 GNH 0.8616
15 OS3 0.8593
Ligand no: 2; Ligand: C9M; Similar ligands found: 255
No: Ligand Similarity coefficient
1 DHC 0.9444
2 FF2 0.9411
3 MPP 0.9366
4 CXH 0.9344
5 IOP 0.9312
6 AC2 0.9298
7 D8Q 0.9291
8 0XR 0.9279
9 6Q3 0.9267
10 ZIP 0.9261
11 ALE 0.9253
12 3D3 0.9222
13 BDI 0.9215
14 2FX 0.9209
15 0SY 0.9208
16 4FE 0.9196
17 DAH 0.9188
18 9BF 0.9170
19 V2Z 0.9160
20 55D 0.9151
21 TRP 0.9139
22 GO8 0.9132
23 MFZ 0.9128
24 GOE 0.9128
25 AMR 0.9118
26 X48 0.9115
27 ZEA 0.9113
28 DL6 0.9110
29 PLP 0.9105
30 TU0 0.9101
31 H4E 0.9095
32 GB4 0.9082
33 YTX 0.9080
34 NIY 0.9079
35 VXX 0.9077
36 F6P 0.9077
37 6HP 0.9075
38 G6P 0.9072
39 GO2 0.9067
40 5E5 0.9066
41 7PJ 0.9061
42 ASE 0.9057
43 HWH 0.9053
44 SB9 0.9053
45 2UD 0.9045
46 ZHA 0.9023
47 H35 0.9023
48 4Z3 0.9023
49 EMF 0.9022
50 NFZ 0.9022
51 1XS 0.9021
52 7MX 0.9021
53 HC4 0.9016
54 14W 0.9015
55 JXQ 0.9014
56 R4E 0.9013
57 I2E 0.9012
58 WA2 0.9005
59 MMS 0.9004
60 M78 0.9002
61 S8D 0.9000
62 5B2 0.8998
63 CR1 0.8992
64 P81 0.8990
65 C9E 0.8982
66 4BX 0.8981
67 TA6 0.8979
68 SXX 0.8976
69 S7S 0.8972
70 IYR 0.8968
71 3XH 0.8955
72 5P3 0.8954
73 H4B 0.8949
74 ZME 0.8945
75 BG6 0.8942
76 3VX 0.8942
77 DXK 0.8941
78 SNY 0.8940
79 4R1 0.8938
80 B41 0.8936
81 6N4 0.8930
82 3N0 0.8930
83 M6P 0.8926
84 ML1 0.8924
85 AEH 0.8922
86 LDP 0.8921
87 OX2 0.8918
88 SRO 0.8917
89 GB5 0.8917
90 9GP 0.8910
91 EYY 0.8910
92 BTI 0.8909
93 F5C 0.8903
94 6GP 0.8900
95 HL6 0.8896
96 HPT 0.8896
97 8Y7 0.8893
98 PIQ 0.8891
99 AZY 0.8890
100 N91 0.8889
101 C4E 0.8889
102 4Z9 0.8887
103 SNR 0.8887
104 8G6 0.8882
105 BTQ 0.8879
106 6C8 0.8876
107 P1J 0.8875
108 HBI 0.8873
109 0OP 0.8873
110 8MP 0.8869
111 KWB 0.8869
112 YIP 0.8868
113 PE2 0.8868
114 FSU 0.8868
115 JOV 0.8868
116 PW5 0.8867
117 9F8 0.8865
118 MUK 0.8864
119 PBN 0.8862
120 BB4 0.8861
121 EMU 0.8857
122 2LT 0.8855
123 YE7 0.8854
124 6C9 0.8854
125 TSS 0.8854
126 LRW 0.8849
127 TB8 0.8844
128 28S 0.8842
129 ONZ 0.8835
130 Q5M 0.8835
131 HL4 0.8835
132 GI1 0.8834
133 DTR 0.8833
134 MBP 0.8833
135 IMI 0.8828
136 ZEZ 0.8827
137 5WN 0.8826
138 4ZF 0.8825
139 F18 0.8825
140 PBG 0.8823
141 6J5 0.8821
142 KMY 0.8817
143 NQH 0.8815
144 ITE 0.8810
145 JYE 0.8809
146 5WT 0.8808
147 QBM 0.8806
148 5NN 0.8804
149 6L6 0.8802
150 78P 0.8802
151 RGG 0.8798
152 ET0 0.8798
153 3IL 0.8797
154 JZR 0.8791
155 1FE 0.8789
156 M6D 0.8786
157 67Y 0.8782
158 CKU 0.8779
159 RUG 0.8777
160 DE7 0.8775
161 S0W 0.8773
162 MLZ 0.8773
163 LLG 0.8771
164 HBO 0.8771
165 S7P 0.8770
166 C0W 0.8767
167 MD6 0.8767
168 AZC 0.8764
169 GZ2 0.8762
170 D8I 0.8762
171 N9J 0.8760
172 QR2 0.8757
173 7PS 0.8755
174 27K 0.8755
175 SJK 0.8752
176 28A 0.8751
177 LNR 0.8749
178 6C5 0.8748
179 S98 0.8748
180 1BW 0.8745
181 HPP 0.8742
182 F1X 0.8740
183 2P3 0.8737
184 0NX 0.8734
185 LTN 0.8731
186 NAL 0.8729
187 8YH 0.8727
188 64F 0.8727
189 FC2 0.8725
190 LJ4 0.8725
191 96Z 0.8723
192 ZYQ 0.8722
193 N9M 0.8722
194 0DF 0.8721
195 3H2 0.8718
196 4GP 0.8717
197 CX4 0.8717
198 GA2 0.8715
199 108 0.8712
200 NBG 0.8712
201 GZV 0.8703
202 ELH 0.8701
203 36M 0.8696
204 1HP 0.8688
205 12R 0.8687
206 CTE 0.8686
207 NTF 0.8686
208 A6W 0.8682
209 JFS 0.8681
210 C6L 0.8681
211 7GP 0.8680
212 LVD 0.8680
213 8UY 0.8676
214 5VU 0.8675
215 NW1 0.8670
216 7ZL 0.8663
217 GGB 0.8663
218 5TO 0.8659
219 EEK 0.8658
220 M3W 0.8655
221 NBV 0.8654
222 MLY 0.8653
223 KWV 0.8650
224 2JX 0.8649
225 52F 0.8647
226 JXK 0.8639
227 U13 0.8636
228 AUY 0.8635
229 BGP 0.8629
230 6FG 0.8626
231 SB7 0.8623
232 GNW 0.8620
233 BGN 0.8618
234 1QP 0.8614
235 NEO 0.8609
236 6C4 0.8609
237 B2E 0.8608
238 4MX 0.8607
239 1Q1 0.8598
240 AP6 0.8596
241 PMM 0.8595
242 A7H 0.8581
243 7AP 0.8576
244 N18 0.8568
245 STV 0.8567
246 XJ2 0.8561
247 WG8 0.8558
248 CMG 0.8554
249 NPI 0.8549
250 3IP 0.8546
251 NEU 0.8539
252 HRG 0.8532
253 OA1 0.8526
254 22T 0.8523
255 RDV 0.8518
Ligand no: 3; Ligand: N7I; Similar ligands found: 840
No: Ligand Similarity coefficient
1 AEH 0.9613
2 YTX 0.9595
3 DHC 0.9532
4 QBM 0.9506
5 I2E 0.9479
6 VXX 0.9472
7 LDP 0.9470
8 6Q3 0.9462
9 8NB 0.9436
10 ALE 0.9433
11 CXH 0.9421
12 EOL 0.9408
13 FF2 0.9402
14 N8Y 0.9402
15 ESI 0.9369
16 S8D 0.9363
17 HPT 0.9355
18 MPP 0.9353
19 LSQ 0.9349
20 KTW 0.9348
21 NQH 0.9347
22 0FK 0.9322
23 8WT 0.9317
24 AC2 0.9317
25 8W9 0.9299
26 4FE 0.9295
27 D8Q 0.9293
28 SRO 0.9286
29 GO8 0.9285
30 B41 0.9284
31 42J 0.9283
32 6N4 0.9282
33 8HC 0.9268
34 CKU 0.9268
35 PH2 0.9267
36 SNY 0.9264
37 IOP 0.9260
38 S7S 0.9260
39 14W 0.9256
40 P80 0.9245
41 OHJ 0.9243
42 AMR 0.9236
43 3VX 0.9225
44 H4E 0.9218
45 463 0.9216
46 XQI 0.9215
47 AZY 0.9209
48 HHS 0.9203
49 55D 0.9202
50 N91 0.9194
51 IYR 0.9187
52 1QP 0.9184
53 9BF 0.9184
54 TSS 0.9181
55 C9E 0.9181
56 9FE 0.9174
57 AX3 0.9167
58 EMZ 0.9162
59 MMS 0.9159
60 9GP 0.9159
61 NIY 0.9158
62 TU0 0.9158
63 CR1 0.9154
64 LNR 0.9153
65 R20 0.9145
66 DAH 0.9143
67 V1T 0.9143
68 4BX 0.9141
69 EV0 0.9137
70 GO2 0.9134
71 PBN 0.9131
72 5E5 0.9131
73 BDI 0.9131
74 BB4 0.9129
75 3D3 0.9129
76 ZYQ 0.9129
77 HC4 0.9127
78 L21 0.9127
79 7I2 0.9120
80 VM1 0.9106
81 2K8 0.9104
82 KWB 0.9103
83 JND 0.9103
84 TRP 0.9102
85 BG6 0.9098
86 P7Y 0.9095
87 M78 0.9088
88 A7H 0.9087
89 3Y7 0.9085
90 G6P 0.9084
91 ZIP 0.9082
92 0FO 0.9080
93 E7S 0.9079
94 OW7 0.9079
95 4R1 0.9078
96 NBG 0.9075
97 L22 0.9073
98 9F8 0.9072
99 X48 0.9072
100 HHR 0.9068
101 V2Z 0.9068
102 2HC 0.9066
103 VNL 0.9066
104 ZHA 0.9062
105 BQ2 0.9062
106 PLR 0.9061
107 M6Z 0.9060
108 BP7 0.9057
109 KUF 0.9057
110 MPK 0.9057
111 TA6 0.9050
112 7MX 0.9050
113 R9Y 0.9048
114 363 0.9046
115 N1E 0.9045
116 2FX 0.9044
117 CTE 0.9041
118 PRZ 0.9040
119 3R6 0.9039
120 67Y 0.9038
121 92P 0.9036
122 8NX 0.9036
123 MVN 0.9036
124 YPN 0.9035
125 RP3 0.9034
126 M4E 0.9034
127 HA5 0.9029
128 HBO 0.9029
129 5F5 0.9025
130 GZ2 0.9025
131 6NZ 0.9025
132 K3Q 0.9023
133 NAG 0.9021
134 LTN 0.9020
135 CWS 0.9020
136 J6W 0.9018
137 5OO 0.9017
138 B2J 0.9015
139 QX4 0.9015
140 8U3 0.9015
141 6HP 0.9015
142 28S 0.9013
143 SXX 0.9012
144 4KL 0.9012
145 STX 0.9011
146 5B2 0.9011
147 MFZ 0.9010
148 3IL 0.9009
149 52F 0.9009
150 4XS 0.9009
151 F6P 0.9006
152 ZRK 0.9004
153 MOK 0.9003
154 2LT 0.9002
155 7WR 0.9001
156 PRF 0.9001
157 ARP 0.8999
158 2HQ 0.8999
159 PLP 0.8998
160 GOE 0.8998
161 O2Y 0.8997
162 4I8 0.8996
163 X0W 0.8995
164 LVD 0.8995
165 692 0.8995
166 SYE 0.8995
167 0W1 0.8994
168 J9T 0.8993
169 2LY 0.8990
170 NFM 0.8989
171 IV2 0.8989
172 4ME 0.8988
173 4Z9 0.8987
174 F2W 0.8987
175 TCA 0.8986
176 YIP 0.8985
177 DQU 0.8983
178 RGG 0.8983
179 ZME 0.8983
180 ONR 0.8982
181 F5C 0.8981
182 QIV 0.8981
183 UFO 0.8981
184 OMD 0.8981
185 1X8 0.8981
186 F0J 0.8981
187 DTR 0.8980
188 IAC 0.8980
189 DHY 0.8980
190 TMG 0.8979
191 C2Y 0.8979
192 5WN 0.8978
193 NAL 0.8978
194 BK9 0.8977
195 0SY 0.8975
196 IPT 0.8975
197 KDV 0.8974
198 M6P 0.8971
199 F31 0.8971
200 TB8 0.8971
201 ZON 0.8970
202 5F8 0.8968
203 K82 0.8967
204 JP2 0.8967
205 4XF 0.8966
206 ITE 0.8966
207 9ZE 0.8964
208 DNF 0.8964
209 JXK 0.8962
210 JF1 0.8962
211 KNA 0.8959
212 1BW 0.8959
213 PBG 0.8958
214 XCG 0.8957
215 LEL 0.8956
216 68A 0.8955
217 2O6 0.8955
218 36M 0.8953
219 YO5 0.8953
220 EE8 0.8952
221 PO6 0.8951
222 4XV 0.8951
223 TYR 0.8951
224 EYV 0.8950
225 Y3L 0.8949
226 6QF 0.8948
227 P81 0.8948
228 JFJ 0.8948
229 GCS 0.8948
230 XHP 0.8947
231 B4O 0.8946
232 TWO 0.8945
233 2UD 0.8944
234 C0W 0.8943
235 4HM 0.8942
236 4Z3 0.8941
237 SG2 0.8941
238 AY4 0.8940
239 1FE 0.8939
240 5FL 0.8939
241 ABF 0.8938
242 HQJ 0.8938
243 MXD 0.8937
244 3C4 0.8937
245 TZM 0.8936
246 GHM 0.8936
247 NFZ 0.8934
248 A5P 0.8934
249 L5V 0.8934
250 RKV 0.8933
251 HNE 0.8930
252 HCI 0.8930
253 DXK 0.8929
254 LRW 0.8928
255 61M 0.8927
256 4V2 0.8927
257 3H2 0.8926
258 NBV 0.8926
259 RCV 0.8926
260 EXD 0.8925
261 44V 0.8925
262 B56 0.8925
263 G1P 0.8925
264 7MW 0.8924
265 ANC 0.8924
266 MD6 0.8924
267 TYE 0.8923
268 44W 0.8923
269 7PJ 0.8922
270 M6D 0.8919
271 JYT 0.8919
272 CHB 0.8918
273 0P6 0.8918
274 ZYR 0.8918
275 RD4 0.8917
276 FWD 0.8916
277 KF5 0.8916
278 SQ7 0.8916
279 IOS 0.8916
280 H35 0.8915
281 8IG 0.8911
282 0F9 0.8911
283 GDE 0.8910
284 A29 0.8908
285 AAN 0.8907
286 HPP 0.8907
287 5P3 0.8907
288 SJK 0.8906
289 CWM 0.8906
290 EWG 0.8906
291 APS 0.8905
292 F1X 0.8905
293 JR2 0.8903
294 1A7 0.8902
295 M5H 0.8901
296 TYL 0.8900
297 YRL 0.8900
298 SLS 0.8899
299 A5E 0.8899
300 SZ7 0.8896
301 SYR 0.8896
302 2P3 0.8895
303 LL1 0.8895
304 X0U 0.8894
305 ASC 0.8894
306 5TZ 0.8894
307 CUW 0.8894
308 N2I 0.8893
309 4GP 0.8890
310 B55 0.8890
311 45L 0.8889
312 OX2 0.8889
313 M1Z 0.8888
314 FDR 0.8888
315 6J9 0.8887
316 2D0 0.8886
317 DHB 0.8886
318 5TY 0.8884
319 258 0.8884
320 6L6 0.8883
321 2D3 0.8883
322 OTW 0.8880
323 XQK 0.8880
324 KMY 0.8880
325 IHB 0.8878
326 4BY 0.8877
327 3D8 0.8875
328 2JK 0.8874
329 H33 0.8874
330 H4B 0.8874
331 PXP 0.8873
332 FHB 0.8873
333 86J 0.8872
334 GB4 0.8871
335 ESX 0.8871
336 5RO 0.8871
337 27K 0.8871
338 HL4 0.8870
339 X04 0.8870
340 7MU 0.8869
341 9R5 0.8868
342 8TX 0.8868
343 LJ3 0.8868
344 GLP 0.8867
345 15E 0.8867
346 1M2 0.8866
347 8G6 0.8866
348 G3F 0.8866
349 505 0.8865
350 BWD 0.8864
351 CWD 0.8864
352 NYL 0.8863
353 BGC 0.8862
354 SQ4 0.8861
355 GF4 0.8860
356 MNP 0.8859
357 DNC 0.8859
358 AH9 0.8859
359 209 0.8859
360 APZ 0.8859
361 K7H 0.8858
362 SQV 0.8858
363 MIL 0.8858
364 XIZ 0.8856
365 E1T 0.8855
366 MPV 0.8855
367 8ZE 0.8854
368 1F1 0.8854
369 8XL 0.8852
370 7ZL 0.8852
371 QR2 0.8851
372 I3E 0.8851
373 268 0.8851
374 B5D 0.8850
375 BY5 0.8849
376 5B1 0.8848
377 PRA 0.8847
378 4A3 0.8847
379 Q88 0.8847
380 TL6 0.8847
381 F06 0.8846
382 R2P 0.8845
383 KG1 0.8845
384 ONZ 0.8845
385 BZE 0.8844
386 U7E 0.8843
387 F69 0.8843
388 GAL 0.8843
389 NNO 0.8843
390 AVA 0.8842
391 8CM 0.8842
392 BGP 0.8841
393 2GQ 0.8840
394 2HO 0.8839
395 XAZ 0.8839
396 ES0 0.8839
397 UAN 0.8838
398 BNF 0.8837
399 S0W 0.8837
400 INO 0.8836
401 STT 0.8836
402 CFA 0.8835
403 KTA 0.8831
404 URC 0.8831
405 ASE 0.8831
406 N9J 0.8830
407 B62 0.8830
408 PBA 0.8830
409 878 0.8828
410 4NC 0.8828
411 DI6 0.8827
412 PMP 0.8827
413 XDK 0.8827
414 K97 0.8827
415 PHE 0.8824
416 6TZ 0.8824
417 BIK 0.8824
418 PE2 0.8823
419 QUB 0.8822
420 1QV 0.8822
421 4A5 0.8821
422 NPA 0.8821
423 CX4 0.8821
424 MUK 0.8820
425 SSC 0.8820
426 78Y 0.8820
427 XIY 0.8819
428 IQ5 0.8817
429 DEW 0.8817
430 8MP 0.8817
431 5WT 0.8816
432 15N 0.8816
433 HSX 0.8813
434 ZEA 0.8813
435 5V7 0.8812
436 K37 0.8812
437 F4E 0.8811
438 4BL 0.8811
439 344 0.8811
440 IWD 0.8811
441 RNO 0.8810
442 N2M 0.8808
443 0HN 0.8808
444 NWD 0.8806
445 KLK 0.8806
446 6DP 0.8805
447 4AB 0.8803
448 AES 0.8803
449 0LO 0.8802
450 6ME 0.8801
451 BGU 0.8801
452 3XH 0.8800
453 JF2 0.8800
454 BZ2 0.8800
455 IL5 0.8799
456 6C9 0.8799
457 1P7 0.8799
458 3C5 0.8798
459 93K 0.8797
460 HBI 0.8796
461 H2B 0.8796
462 MYJ 0.8794
463 12T 0.8794
464 3ZB 0.8793
465 HJH 0.8792
466 K25 0.8792
467 4FF 0.8792
468 PNZ 0.8791
469 069 0.8791
470 4MX 0.8790
471 JDN 0.8790
472 CGW 0.8789
473 6KT 0.8789
474 IBP 0.8789
475 549 0.8788
476 ARG 0.8788
477 0HO 0.8787
478 0XR 0.8786
479 AJG 0.8785
480 UNJ 0.8785
481 BEA 0.8784
482 JB8 0.8784
483 2CZ 0.8784
484 RVE 0.8783
485 ZSP 0.8783
486 QSB 0.8782
487 1X7 0.8780
488 ICB 0.8780
489 HRM 0.8779
490 TR4 0.8779
491 SNO 0.8779
492 6J5 0.8779
493 94W 0.8778
494 BRH 0.8778
495 YE7 0.8778
496 2BG 0.8777
497 97T 0.8776
498 96Z 0.8775
499 SSB 0.8775
500 S0D 0.8774
501 F12 0.8774
502 F9Y 0.8774
503 5RP 0.8773
504 JLZ 0.8773
505 AJY 0.8773
506 NDG 0.8773
507 AKG 0.8773
508 W81 0.8772
509 E1P 0.8771
510 B21 0.8771
511 4YO 0.8771
512 QMS 0.8770
513 PPY 0.8768
514 KYA 0.8768
515 GNM 0.8768
516 SR1 0.8767
517 PLP PMP 0.8766
518 BPU 0.8765
519 9NB 0.8765
520 MQB 0.8765
521 MBG 0.8764
522 JCZ 0.8763
523 GVY 0.8762
524 428 0.8761
525 9TW 0.8761
526 3HM 0.8761
527 8WO 0.8760
528 9UL 0.8760
529 JTH 0.8759
530 0JD 0.8759
531 EN1 0.8758
532 CPW 0.8758
533 NVU 0.8758
534 5NN 0.8758
535 PVQ 0.8757
536 6C5 0.8756
537 2H5 0.8756
538 BTY 0.8756
539 HX3 0.8756
540 GI3 0.8755
541 S98 0.8755
542 6FZ 0.8754
543 261 0.8753
544 ESP 0.8753
545 GLC 0.8752
546 M3E 0.8752
547 ZEZ 0.8752
548 7ZC 0.8751
549 1Z6 0.8750
550 5LA 0.8750
551 1VK 0.8749
552 D6G 0.8749
553 MUX 0.8749
554 PH3 0.8748
555 JGB 0.8747
556 MR1 0.8747
557 FGZ 0.8747
558 FP1 0.8746
559 NTF 0.8746
560 MLZ 0.8745
561 JAW 0.8743
562 KLV 0.8742
563 P9P 0.8742
564 KOJ 0.8741
565 MSR 0.8741
566 5XC 0.8741
567 HJ8 0.8740
568 S60 0.8739
569 PVK 0.8739
570 F02 0.8738
571 8WZ 0.8737
572 3Z8 0.8736
573 0NX 0.8735
574 Q5M 0.8734
575 SKM 0.8734
576 BZ3 0.8733
577 N0Z 0.8733
578 75K 0.8733
579 4NS 0.8732
580 KYN 0.8731
581 QBS 0.8731
582 6NT 0.8730
583 L46 0.8730
584 QSH 0.8730
585 CWJ 0.8730
586 TOH 0.8730
587 CPZ 0.8729
588 NLQ 0.8728
589 259 0.8728
590 3SU 0.8728
591 OKM 0.8728
592 3GX 0.8728
593 C4E 0.8727
594 64E 0.8727
595 CCV 0.8726
596 795 0.8726
597 CLZ 0.8725
598 5JL 0.8723
599 BIO 0.8723
600 ONH 0.8722
601 F90 0.8721
602 3A9 0.8721
603 GDL 0.8721
604 MRW 0.8720
605 LYL 0.8720
606 OUB 0.8720
607 EV2 0.8719
608 774 0.8718
609 KT7 0.8718
610 54X 0.8717
611 4CN 0.8715
612 DK1 0.8715
613 SSY 0.8714
614 SNU 0.8714
615 I3A 0.8714
616 OGA 0.8714
617 8GK 0.8712
618 BPY 0.8711
619 GB5 0.8710
620 TZP 0.8707
621 LYS 0.8706
622 1L5 0.8705
623 CHQ 0.8704
624 FYR 0.8702
625 4FA 0.8701
626 HDH 0.8701
627 DEE 0.8701
628 SKF 0.8701
629 20J 0.8700
630 AMQ 0.8699
631 2A9 0.8699
632 A5H 0.8699
633 BHS 0.8698
634 N4E 0.8698
635 TLM 0.8698
636 4LW 0.8696
637 293 0.8696
638 42A 0.8696
639 DT7 0.8696
640 2D2 0.8695
641 ABI 0.8694
642 5OB 0.8693
643 2ZM 0.8692
644 7O4 0.8690
645 GV9 0.8690
646 SNR 0.8689
647 ZRL 0.8686
648 TCR 0.8686
649 PNP 0.8686
650 4WL 0.8683
651 PIQ 0.8683
652 BQ5 0.8682
653 RA7 0.8682
654 WA2 0.8682
655 8HH 0.8681
656 MS9 0.8679
657 78P 0.8679
658 TQU 0.8676
659 2WU 0.8675
660 DHK 0.8672
661 E4P 0.8672
662 CKX 0.8671
663 WUB 0.8671
664 AEF 0.8670
665 S2G 0.8670
666 EV3 0.8669
667 49P 0.8668
668 DRG 0.8668
669 NK5 0.8668
670 0FR 0.8667
671 OVP 0.8667
672 OOG 0.8666
673 4NM 0.8666
674 GZL 0.8664
675 3NY 0.8664
676 YZM 0.8663
677 833 0.8663
678 SOR 0.8663
679 6C4 0.8662
680 OTR 0.8661
681 A1Y 0.8661
682 4NO 0.8661
683 FUD 0.8661
684 4BZ 0.8660
685 8S0 0.8660
686 Z5P 0.8659
687 492 0.8659
688 BZJ 0.8658
689 NLA 0.8658
690 4TU 0.8658
691 HWH 0.8658
692 R4E 0.8657
693 B61 0.8657
694 5OF 0.8657
695 P4L 0.8656
696 8Y7 0.8656
697 EUH 0.8655
698 CKA 0.8654
699 XI7 0.8654
700 LIP 0.8654
701 ISC 0.8654
702 NFA 0.8654
703 LF5 0.8653
704 ZEC 0.8652
705 NPL 0.8651
706 TJM 0.8650
707 KTJ 0.8649
708 2FQ 0.8649
709 B23 0.8647
710 0DF 0.8643
711 92O 0.8642
712 OSB 0.8641
713 JY2 0.8640
714 M28 0.8640
715 P93 0.8639
716 D3G 0.8637
717 LGC 0.8636
718 2EC 0.8635
719 KJU 0.8633
720 PZI 0.8633
721 3VQ 0.8633
722 S3C 0.8632
723 F18 0.8631
724 JPQ 0.8630
725 S7P 0.8628
726 YI6 0.8627
727 GTR 0.8627
728 AM1 0.8626
729 HX4 0.8625
730 JTA 0.8624
731 CH9 0.8624
732 2QC 0.8624
733 3Z7 0.8623
734 SSM 0.8623
735 IPD 0.8623
736 RP5 0.8623
737 FZM 0.8620
738 F40 0.8620
739 GNW 0.8619
740 5NI 0.8617
741 149 0.8617
742 HL6 0.8616
743 AVX 0.8615
744 MAJ 0.8615
745 1GN 0.8615
746 6NI 0.8615
747 ICO 0.8614
748 OA1 0.8613
749 36Y 0.8613
750 ZZA 0.8612
751 MBP 0.8611
752 6ZX 0.8611
753 ANN 0.8611
754 JXT 0.8610
755 535 0.8609
756 6VD 0.8609
757 1N4 0.8609
758 J9Q 0.8608
759 4VS 0.8607
760 57O 0.8606
761 4G2 0.8605
762 2HG 0.8605
763 NIZ 0.8605
764 GNV 0.8605
765 22L 0.8604
766 PD2 0.8604
767 M9N 0.8602
768 EVF 0.8602
769 X0V 0.8600
770 6RQ 0.8600
771 M0Q 0.8599
772 AJ1 0.8599
773 ENO 0.8599
774 PQ0 0.8598
775 TL5 0.8597
776 ORN 0.8595
777 GLA 0.8595
778 OW4 0.8595
779 CG8 0.8594
780 2FG 0.8594
781 6XI 0.8594
782 2KA 0.8594
783 PFF 0.8592
784 92G 0.8592
785 4NP 0.8591
786 K80 0.8591
787 HFA 0.8588
788 ATX 0.8588
789 A6P 0.8587
790 UN1 0.8585
791 CK2 0.8585
792 JBZ 0.8583
793 SHA 0.8583
794 3MB 0.8582
795 3QV 0.8581
796 ML1 0.8581
797 80G 0.8581
798 SHG 0.8580
799 FHC 0.8580
800 X6W 0.8580
801 DTY 0.8580
802 CIR 0.8579
803 3VW 0.8579
804 OQC 0.8578
805 KLS 0.8577
806 1KP 0.8577
807 XFE 0.8575
808 CC5 0.8574
809 MFR 0.8571
810 GLU 0.8571
811 IBM 0.8570
812 5GU 0.8570
813 CSN 0.8569
814 4LV 0.8568
815 MCO 0.8568
816 N3W 0.8564
817 FA6 0.8563
818 5GV 0.8560
819 G14 0.8559
820 NPI 0.8558
821 RSV 0.8557
822 MVH 0.8554
823 FOT 0.8552
824 TZF 0.8551
825 0XT 0.8551
826 X0T 0.8550
827 1AE 0.8550
828 UKV 0.8547
829 PEA 0.8545
830 PDC 0.8544
831 1XS 0.8544
832 6SD 0.8537
833 E3X 0.8528
834 6MW 0.8523
835 7EH 0.8522
836 S0G 0.8521
837 BTI 0.8519
838 GL6 0.8513
839 AZM 0.8509
840 3R4 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4E70; Ligand: N7I; 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: 4e70.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4E70; Ligand: N7I; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 4e70.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 3GXO SAH 47.4255
2 3GWZ SAH 47.4255
3 3GXO SAH 47.4255
4 3GXO SAH 47.4255
5 3GXO SAH 47.4255
6 3GXO SAH 47.4255
7 3GXO SAH 47.4255
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