Receptor
PDB id Resolution Class Description Source Keywords
5FES 1.27 Å EC: 7.-.-.- HYDE FROM T. MARITIMA IN COMPLEX WITH (2R,4R)-MESETDA THERMOTOGA MARITIMA RADICAL SAM ENZYME FEFE-HYDROGENASE MATURASE THIAZOLIDINEOXIDOREDUCTASE
Ref.: CARBON-SULFUR BOND-FORMING REACTION CATALYSED BY TH SAM ENZYME HYDE. NAT.CHEM. V. 8 491 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9SE A:409;
 Valid;
 none;
 submit data
238.1 C6 H9 N O4 Se C[C@]...
CPS A:404;
A:405;
A:406;
A:403;
A:402;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
614.877 C32 H58 N2 O7 S C[C@H...
SF4 A:401;
 Part of Protein;
 none;
 submit data
351.64 Fe4 S4 [S]12...
CL A:407;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
SAM A:408;
 Valid;
 none;
 submit data
398.437 C15 H22 N6 O5 S C[S@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JYD 1.71 Å EC: 7.-.-.- X-RAY SNAPSHOTS OF POSSIBLE INTERMEDIATES IN THE TIME COURSE SYNTHESIS AND DEGRADATION OF PROTEIN-BOUND FE4S4 CLUSTERS. THERMOTOGA MARITIMA RADICAL SAM PROTEIN FEFE-HYDROGENASE ACTIVE SITE ASSEMBLY CLUSTER S-ADENOSYL-L-METHIONINE OXIDOREDUCTASE
Ref.: X-RAY SNAPSHOTS OF POSSIBLE INTERMEDIATES IN THE TI OF SYNTHESIS AND DEGRADATION OF PROTEIN-BOUND FE4S4 CLUSTERS. PROC.NATL.ACAD.SCI.USA V. 110 7188 2013
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 3CIW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4JYE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3CIX - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5FEX - 5AD SEC n/a n/a
5 5FF3 - PRS C4 H7 N O2 S C1[C@H](NC....
6 5FEP - SAM C15 H22 N6 O5 S C[S@@+](CC....
7 3IIZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 5FES - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 5FF0 - 5X8 C13 H18 N6 O5 S c1nc(c2c(n....
10 4JXC - SAM C15 H22 N6 O5 S C[S@@+](CC....
11 4JY9 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 4JYF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 5FF4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 3IIX - MET C5 H11 N O2 S CSCC[C@@H]....
15 4JYD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 5FEW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
17 5FF2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
18 5FEZ - 9SE C6 H9 N O4 Se C[C@]1(N[C....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 3CIW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4JYE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3CIX - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5FEX - 5AD SEC n/a n/a
5 5FF3 - PRS C4 H7 N O2 S C1[C@H](NC....
6 5FEP - SAM C15 H22 N6 O5 S C[S@@+](CC....
7 3IIZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 5FES - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 5FF0 - 5X8 C13 H18 N6 O5 S c1nc(c2c(n....
10 4JXC - SAM C15 H22 N6 O5 S C[S@@+](CC....
11 4JY9 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 4JYF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 5FF4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 3IIX - MET C5 H11 N O2 S CSCC[C@@H]....
15 4JYD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 5FEW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
17 5FF2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
18 5FEZ - 9SE C6 H9 N O4 Se C[C@]1(N[C....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 3CIW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4JYE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3CIX - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5FEX - 5AD SEC n/a n/a
5 5FF3 - PRS C4 H7 N O2 S C1[C@H](NC....
6 5FEP - SAM C15 H22 N6 O5 S C[S@@+](CC....
7 3IIZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 5FES - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 5FF0 - 5X8 C13 H18 N6 O5 S c1nc(c2c(n....
10 4JXC - SAM C15 H22 N6 O5 S C[S@@+](CC....
11 4JY9 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 4JYF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 5FF4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 3IIX - MET C5 H11 N O2 S CSCC[C@@H]....
15 4JYD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 5FEW - SAH C14 H20 N6 O5 S c1nc(c2c(n....
17 5FF2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
18 5FEZ - 9SE C6 H9 N O4 Se C[C@]1(N[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 9SE; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9SE 1 1
Ligand no: 2; Ligand: SAM; Similar ligands found: 246
No: Ligand ECFP6 Tc MDL keys Tc
1 SAM 1 1
2 SMM 0.792683 0.96
3 S4M 0.6875 0.909091
4 S7M 0.670455 0.945946
5 M2T 0.636364 0.878378
6 GEK 0.612903 0.931507
7 SAI 0.571429 0.878378
8 ADN 0.565789 0.773333
9 RAB 0.565789 0.773333
10 XYA 0.565789 0.773333
11 5CD 0.564103 0.783784
12 EP4 0.5625 0.826667
13 SA8 0.56044 0.945205
14 SFG 0.555556 0.875
15 5X8 0.555556 0.888889
16 5N5 0.551282 0.773333
17 A4D 0.544304 0.797297
18 EEM 0.542553 0.945946
19 SAH 0.537634 0.916667
20 EU9 0.537037 0.809524
21 DTA 0.536585 0.789474
22 62X 0.535354 0.884615
23 MTA 0.53012 0.875
24 3DH 0.517647 0.849315
25 AMP MG 0.517241 0.7375
26 5AL 0.510417 0.743902
27 VMS 0.510204 0.673913
28 54H 0.510204 0.673913
29 0UM 0.51 0.857143
30 NWW 0.506173 0.739726
31 LMS 0.505747 0.666667
32 AMP 0.505747 0.707317
33 A 0.505747 0.707317
34 45A 0.505618 0.753086
35 ABM 0.505618 0.753086
36 A5A 0.505155 0.688889
37 SSA 0.5 0.684783
38 5AD 0.5 0.75
39 SON 0.5 0.746988
40 6RE 0.5 0.78481
41 SRP 0.5 0.746988
42 K15 0.5 0.883117
43 LSS 0.49505 0.706522
44 CA0 0.494624 0.714286
45 AP2 0.494505 0.705882
46 A12 0.494505 0.705882
47 ME8 0.490385 0.841463
48 TSB 0.49 0.681319
49 5CA 0.49 0.684783
50 DAL AMP 0.49 0.765432
51 53H 0.49 0.666667
52 ACP 0.489362 0.694118
53 KG4 0.489362 0.714286
54 ADP 0.48913 0.690476
55 5AS 0.48913 0.648936
56 J7C 0.488889 0.772152
57 A2D 0.488889 0.690476
58 ZAS 0.488636 0.769231
59 8QN 0.485149 0.743902
60 9ZD 0.485149 0.729412
61 9ZA 0.485149 0.729412
62 8LH 0.484848 0.746988
63 GAP 0.484536 0.73494
64 AN2 0.483871 0.682353
65 A3S 0.483871 0.813333
66 ADP BEF 0.483871 0.728395
67 ADP MG 0.483871 0.728395
68 A7D 0.483871 0.851351
69 GJV 0.483516 0.775
70 SRA 0.483146 0.694118
71 GSU 0.480769 0.722222
72 KAA 0.480769 0.698925
73 LAD 0.480769 0.752941
74 DSZ 0.480392 0.703297
75 AMO 0.480392 0.746988
76 52H 0.48 0.666667
77 8LE 0.479592 0.717647
78 APC MG 0.479167 0.731707
79 M33 0.478723 0.722892
80 BA3 0.478261 0.690476
81 MAO 0.478261 0.82716
82 AOC 0.477778 0.776316
83 NEC 0.477778 0.75
84 DSH 0.477778 0.842105
85 SXZ 0.47619 0.894737
86 NVA LMS 0.475728 0.736264
87 AHX 0.475728 0.701149
88 Y3J 0.47561 0.706667
89 8LQ 0.475248 0.768293
90 QA7 0.475248 0.738095
91 G5A 0.474227 0.684783
92 A3T 0.473684 0.8
93 B4P 0.473118 0.690476
94 AP5 0.473118 0.690476
95 A3N 0.472527 0.766234
96 KB1 0.471698 0.833333
97 LEU LMS 0.471154 0.752809
98 PRX 0.46875 0.73494
99 APC 0.46875 0.705882
100 AT4 0.468085 0.686047
101 4AD 0.466019 0.759036
102 PAJ 0.466019 0.712644
103 NWQ 0.465909 0.767123
104 V2G 0.464646 0.701149
105 ATP MG 0.463918 0.728395
106 ADP PO3 0.463918 0.728395
107 ADV 0.463918 0.72619
108 RBY 0.463918 0.72619
109 ADX 0.463158 0.666667
110 MHZ 0.463158 0.82716
111 AU1 0.463158 0.674419
112 NB8 0.462264 0.72093
113 TXA 0.462264 0.72619
114 A3G 0.461538 0.802632
115 ANP MG 0.46 0.702381
116 VO4 ADP 0.46 0.694118
117 BEF ADP 0.459184 0.710843
118 VRT 0.459184 0.842105
119 XAH 0.458716 0.715909
120 KYE 0.458716 0.802469
121 YSA 0.458716 0.684783
122 50T 0.458333 0.682353
123 ATP 0.458333 0.690476
124 H1Q 0.458333 0.719512
125 HEJ 0.458333 0.690476
126 7D7 0.45679 0.723684
127 V47 0.455446 0.810811
128 KH3 0.455357 0.871795
129 ACQ 0.454545 0.694118
130 AR6 0.453608 0.710843
131 APR 0.453608 0.710843
132 5FA 0.453608 0.690476
133 AQP 0.453608 0.690476
134 NSS 0.451923 0.703297
135 FA5 0.449541 0.746988
136 AGS 0.44898 0.678161
137 A5D 0.44898 0.789474
138 AD9 0.44898 0.674419
139 PTJ 0.448598 0.72093
140 YLB 0.448276 0.758621
141 YLP 0.447368 0.738636
142 OZP 0.447368 0.844156
143 8X1 0.446602 0.680851
144 D3Y 0.446602 0.792208
145 N5O 0.445652 0.789474
146 ALF ADP 0.445545 0.678161
147 3AM 0.444444 0.674699
148 MYR AMP 0.444444 0.776471
149 HY8 0.443478 0.822785
150 OAD 0.443396 0.73494
151 2VA 0.443299 0.779221
152 KXW 0.442478 0.844156
153 QXP 0.442308 0.67033
154 S8M 0.442308 0.831169
155 OOB 0.442308 0.722892
156 6YZ 0.441176 0.694118
157 T99 0.44 0.686047
158 ANP 0.44 0.674419
159 TAT 0.44 0.686047
160 N37 0.439655 0.828947
161 WAQ 0.439252 0.75
162 HZ2 0.438596 0.822785
163 8PZ 0.436364 0.684783
164 B5Y 0.436364 0.717647
165 N5A 0.43617 0.786667
166 F0P 0.435897 0.844156
167 YLC 0.435897 0.755814
168 AAT 0.435644 0.797468
169 1ZZ 0.435185 0.755814
170 3OD 0.435185 0.73494
171 9K8 0.435185 0.663158
172 NVA 2AD 0.434343 0.855263
173 00A 0.433962 0.689655
174 DLL 0.433962 0.722892
175 7MD 0.433628 0.715909
176 ARG AMP 0.433628 0.727273
177 ATF 0.431373 0.666667
178 SO8 0.43 0.792208
179 A6D 0.429907 0.72619
180 QXG 0.429907 0.663043
181 9X8 0.429907 0.717647
182 3UK 0.429907 0.714286
183 F2R 0.429752 0.7
184 OZV 0.428571 0.690476
185 AMP DBH 0.428571 0.714286
186 5SV 0.428571 0.741176
187 TYM 0.42735 0.746988
188 WSA 0.42735 0.692308
189 9SN 0.427273 0.681818
190 AHZ 0.426087 0.755814
191 PR8 0.425926 0.744186
192 B5V 0.425926 0.705882
193 J4G 0.425926 0.759036
194 3NZ 0.425926 0.807692
195 P5A 0.425926 0.691489
196 R2V 0.425926 0.67033
197 A1R 0.424528 0.709302
198 2A5 0.424242 0.674419
199 Q34 0.423729 0.802469
200 7MC 0.423729 0.719101
201 Q2M 0.423729 0.846154
202 B5M 0.423423 0.717647
203 HQG 0.423077 0.702381
204 U4Y 0.422414 0.88
205 7D5 0.422222 0.658824
206 JB6 0.422018 0.709302
207 FYA 0.422018 0.722892
208 AYB 0.421488 0.75
209 JNT 0.420561 0.694118
210 K2H 0.420561 0.805195
211 B1U 0.419643 0.632653
212 MAP 0.419048 0.659091
213 KY2 0.419048 0.777778
214 A22 0.419048 0.682353
215 2AM 0.417582 0.666667
216 TAD 0.417391 0.712644
217 ADP BMA 0.416667 0.714286
218 A3P 0.416667 0.686747
219 25A 0.415094 0.690476
220 Q2V 0.413223 0.833333
221 YLA 0.413223 0.719101
222 K2K 0.412844 0.807692
223 8Q2 0.411765 0.663158
224 KYB 0.411215 0.777778
225 A3R 0.411215 0.709302
226 ADQ 0.411215 0.694118
227 KMQ 0.410714 0.72619
228 48N 0.410256 0.72093
229 0XU 0.41 0.824324
230 GA7 0.408696 0.72619
231 K3H 0.40708 0.775
232 7D3 0.40625 0.643678
233 PAP 0.405941 0.678571
234 DQV 0.405172 0.702381
235 OVE 0.404255 0.662791
236 4UV 0.403509 0.697674
237 ALF ADP 3PG 0.403361 0.712644
238 AF3 ADP 3PG 0.403361 0.712644
239 Q2P 0.403226 0.802469
240 3AD 0.402299 0.783784
241 2BA 0.402062 0.682927
242 CMP 0.402062 0.691358
243 K38 0.401786 0.7375
244 NAD TDB 0.4 0.731707
245 7C5 0.4 0.731707
246 NAD IBO 0.4 0.731707
Similar Ligands (3D)
Ligand no: 1; Ligand: 9SE; Similar ligands found: 332
No: Ligand Similarity coefficient
1 41K 0.9989
2 5XB 0.9692
3 APG 0.9395
4 5ZZ 0.9388
5 ALA ALA 0.9354
6 8GL 0.9323
7 GLU 0.9304
8 3LR 0.9303
9 2FT 0.9292
10 R9S 0.9281
11 SYM 0.9243
12 7UC 0.9209
13 OGA 0.9187
14 HIS 0.9168
15 KDG 0.9156
16 8EW 0.9149
17 AKG 0.9149
18 2HG 0.9145
19 GRO 0.9139
20 DAL DAL 0.9136
21 DGL 0.9108
22 SMN 0.9104
23 PHE 0.9103
24 URQ 0.9095
25 DHS 0.9093
26 TRC 0.9087
27 DZA 0.9085
28 GCO 0.9084
29 0OC 0.9077
30 GLN 0.9073
31 OMD 0.9065
32 FK8 0.9060
33 GGL 0.9059
34 FOC 0.9055
35 M5E 0.9052
36 4HP 0.9047
37 CIT 0.9045
38 KDF 0.9043
39 6NT 0.9043
40 LLH 0.9043
41 ICB 0.9037
42 2IT 0.9033
43 PDC 0.9027
44 PD2 0.9025
45 ZGL 0.9023
46 SOR 0.9022
47 RAT 0.9022
48 6JN 0.9022
49 DXG 0.9021
50 9RW 0.9020
51 T9G 0.9018
52 PEP 0.9016
53 3NY 0.9003
54 173 0.9002
55 LFC 0.8997
56 AL0 0.8995
57 HA7 0.8984
58 HHI 0.8983
59 RNS 0.8983
60 SD4 0.8982
61 HQ9 0.8979
62 091 0.8978
63 HHH 0.8970
64 GAE 0.8970
65 KMH 0.8963
66 3PG 0.8960
67 AFS 0.8959
68 C5A 0.8949
69 3HG 0.8948
70 9ON 0.8947
71 NCT 0.8944
72 JAW 0.8943
73 2ZM 0.8938
74 61M 0.8938
75 RMN 0.8933
76 152 0.8929
77 FLC 0.8927
78 2AL 0.8926
79 MTL 0.8926
80 LYS 0.8926
81 CS2 0.8924
82 AOS 0.8924
83 0HN 0.8921
84 6NI 0.8921
85 DGN 0.8920
86 1L5 0.8917
87 0HO 0.8916
88 7C3 0.8914
89 GLY GLY 0.8912
90 2BX 0.8909
91 AHN 0.8909
92 1F1 0.8907
93 S2P 0.8906
94 HL5 0.8902
95 K6V 0.8899
96 TIH 0.8899
97 K6H 0.8898
98 XLS 0.8896
99 SEP 0.8895
100 JDN 0.8894
101 S2G 0.8892
102 3SL 0.8892
103 GVM 0.8889
104 SDD 0.8883
105 SOL 0.8883
106 CXP 0.8881
107 DII 0.8880
108 3YP 0.8878
109 SHI 0.8871
110 IXW 0.8871
111 XUL 0.8870
112 3BU 0.8870
113 GZQ 0.8865
114 DEW 0.8863
115 ICT 0.8863
116 GZ3 0.8862
117 5OB 0.8859
118 FEH 0.8857
119 CUW 0.8857
120 XYL 0.8856
121 PO6 0.8856
122 TAR 0.8855
123 3HP 0.8855
124 OTR 0.8850
125 OVM 0.8847
126 NCD 0.8847
127 DHY 0.8845
128 92K 0.8844
129 23J 0.8843
130 M6H 0.8843
131 5NI 0.8842
132 R2P 0.8842
133 4TB 0.8839
134 AOT 0.8838
135 REL 0.8836
136 8OZ 0.8835
137 X1R 0.8833
138 15N 0.8833
139 AEG 0.8830
140 PPY 0.8829
141 GLR 0.8827
142 9J3 0.8826
143 AH8 0.8826
144 KTA 0.8825
145 HDL 0.8823
146 FUD 0.8822
147 RUJ 0.8821
148 ABI 0.8820
149 DIR 0.8816
150 EHM 0.8813
151 4WK 0.8813
152 MES 0.8813
153 JB8 0.8813
154 9RH 0.8811
155 TIU 0.8810
156 3A9 0.8810
157 0L1 0.8810
158 GLO 0.8809
159 2AS 0.8808
160 PPR 0.8808
161 S7A 0.8806
162 MET 0.8800
163 OAA 0.8800
164 4P0 0.8800
165 MLT 0.8799
166 PFL 0.8797
167 BZ3 0.8796
168 ASC 0.8793
169 449 0.8792
170 MUC 0.8792
171 ACH 0.8791
172 TYE 0.8790
173 M44 0.8787
174 ORN 0.8785
175 OW4 0.8785
176 MR1 0.8785
177 56D 0.8782
178 HL4 0.8782
179 5XC 0.8781
180 PSJ 0.8778
181 J9Q 0.8777
182 HDH 0.8777
183 97T 0.8775
184 J0Z 0.8774
185 N2Z 0.8773
186 ONL 0.8771
187 GUA 0.8771
188 MXN 0.8768
189 LPK 0.8768
190 LUQ 0.8764
191 I1E 0.8764
192 TYL 0.8763
193 DHI 0.8762
194 R67 0.8758
195 HG3 0.8757
196 Q07 0.8757
197 HYA 0.8756
198 OOG 0.8754
199 CCE 0.8753
200 46P 0.8750
201 TCA 0.8750
202 7BC 0.8748
203 HFA 0.8748
204 Q06 0.8748
205 HC4 0.8745
206 3S5 0.8744
207 LFR 0.8743
208 ROR 0.8742
209 AMQ 0.8741
210 UN1 0.8738
211 NLG 0.8736
212 LX1 0.8735
213 0JD 0.8735
214 PAC 0.8735
215 A3M 0.8734
216 NFA 0.8732
217 ASP 0.8730
218 HNL 0.8729
219 PMF 0.8729
220 K34 0.8726
221 3MB 0.8726
222 RB5 0.8725
223 3QM 0.8724
224 E4P 0.8724
225 86L 0.8724
226 OW7 0.8723
227 B2Y 0.8720
228 HNK 0.8718
229 ARG 0.8717
230 NIZ 0.8717
231 52C 0.8715
232 1AL 0.8713
233 K7M 0.8712
234 7WG 0.8712
235 0F9 0.8712
236 PC 0.8711
237 BNL 0.8711
238 PHU 0.8711
239 A29 0.8711
240 Q03 0.8704
241 G3H 0.8704
242 G3P 0.8704
243 CLT 0.8704
244 GBN 0.8703
245 E5X 0.8701
246 HSO 0.8695
247 XRG 0.8693
248 PIM 0.8692
249 98J 0.8692
250 5WZ 0.8685
251 7N0 0.8684
252 3MF 0.8683
253 HGA 0.8682
254 13P 0.8681
255 DPN 0.8680
256 SNE 0.8678
257 M45 0.8678
258 TAG 0.8677
259 DLY 0.8675
260 8G0 0.8671
261 PGH 0.8670
262 ITN 0.8668
263 MZT 0.8668
264 1X4 0.8667
265 ODO 0.8664
266 3OC 0.8663
267 IVL 0.8663
268 HQJ 0.8662
269 AMH 0.8659
270 M74 0.8656
271 FBM 0.8656
272 LMR 0.8650
273 6LW 0.8650
274 7A2 0.8647
275 JF6 0.8646
276 3V4 0.8646
277 FA1 0.8646
278 PGA 0.8644
279 CPZ 0.8643
280 M4T 0.8642
281 Q02 0.8641
282 FA0 0.8640
283 2HU 0.8639
284 DAS 0.8637
285 4WL 0.8637
286 CYX 0.8636
287 6FZ 0.8633
288 NLE 0.8629
289 B85 0.8629
290 5CU 0.8628
291 BRH 0.8627
292 GLY GLY GLY 0.8625
293 5HY 0.8625
294 1WC 0.8620
295 O45 0.8617
296 MEQ 0.8615
297 XX3 0.8614
298 OEG 0.8614
299 MSR 0.8614
300 SHA 0.8611
301 069 0.8611
302 QMP 0.8610
303 ISZ 0.8607
304 JRB 0.8606
305 GVG 0.8605
306 XXP 0.8604
307 OEM 0.8604
308 SYC 0.8604
309 RUY 0.8603
310 TEO 0.8601
311 8WQ 0.8598
312 AHB 0.8594
313 3PO 0.8591
314 Z5P 0.8589
315 SKM 0.8588
316 CWJ 0.8585
317 YZM 0.8584
318 TZM 0.8584
319 EDR 0.8578
320 BHO 0.8575
321 M3H 0.8568
322 AT3 0.8565
323 AHC 0.8562
324 B40 0.8552
325 I4B 0.8549
326 OKG 0.8548
327 9X6 0.8547
328 R20 0.8545
329 RD4 0.8540
330 0VT 0.8536
331 RP5 0.8523
332 PPT 0.8515
Ligand no: 2; Ligand: SAM; Similar ligands found: 26
No: Ligand Similarity coefficient
1 TT8 0.9650
2 GDP 0.9145
3 8OD 0.9006
4 NWZ 0.8954
5 IDP 0.8910
6 CUU 0.8833
7 GNH 0.8826
8 KB7 0.8802
9 DTP 0.8779
10 GDP MG 0.8767
11 M7G 0.8755
12 G8D 0.8722
13 DZ4 0.8710
14 GTP 0.8703
15 DAT 0.8676
16 DGT 0.8665
17 GNP 0.8658
18 AV2 0.8650
19 HF7 0.8632
20 DGI 0.8627
21 HDV 0.8586
22 GCP 0.8586
23 TTP 0.8585
24 FZT 0.8567
25 GSP 0.8566
26 CTP 0.8538
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JYD; 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: 1) in the query (biounit: 4jyd.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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