Receptor
PDB id Resolution Class Description Source Keywords
5FF2 1.47 Å EC: 7.-.-.- HYDE FROM T. MARITIMA IN COMPLEX WITH (2R,4R)-TDA THERMOTOGA MARITIMA RADICAL SAM ENZYME COMPLEX FEFE-HYDROGENASE MATURASE OXIDOREDUCTASE
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
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...
H2S A:411;
A:410;
Invalid;
Invalid;
none;
none;
submit data
34.081 H2 S S
SAH A:408;
Valid;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
5XB A:409;
Valid;
none;
submit data
177.178 C5 H7 N O4 S C1[C@...
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-]
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: 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: 5XB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5XB 1 1
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: 5XB; Similar ligands found: 825
No: Ligand Similarity coefficient
1 9SE 0.9692
2 41K 0.9676
3 OGA 0.9575
4 AKG 0.9562
5 GLU 0.9523
6 DHS 0.9516
7 3HG 0.9506
8 ALA ALA 0.9484
9 DAL DAL 0.9471
10 PD2 0.9466
11 8EW 0.9457
12 PDC 0.9456
13 R9S 0.9443
14 KMH 0.9425
15 6NT 0.9419
16 GLN 0.9406
17 7UC 0.9399
18 PFL 0.9374
19 5NI 0.9369
20 3NY 0.9366
21 6JN 0.9359
22 S2G 0.9356
23 2FT 0.9349
24 6NI 0.9346
25 HHI 0.9345
26 SSC 0.9329
27 SMN 0.9328
28 DZA 0.9328
29 FK8 0.9323
30 2ZM 0.9322
31 HIS 0.9320
32 TIU 0.9310
33 4NC 0.9308
34 1F1 0.9308
35 IXW 0.9303
36 173 0.9301
37 0HO 0.9299
38 0HN 0.9295
39 ASN 0.9295
40 3LR 0.9294
41 C5A 0.9291
42 GVM 0.9289
43 8GL 0.9287
44 GUA 0.9287
45 152 0.9286
46 9RW 0.9284
47 2HG 0.9279
48 3MB 0.9278
49 JDN 0.9278
50 PHE 0.9277
51 OVM 0.9273
52 3PG 0.9273
53 JAW 0.9271
54 OW7 0.9266
55 OAA 0.9264
56 DGL 0.9256
57 2IT 0.9256
58 ASP 0.9246
59 5OB 0.9239
60 DGN 0.9238
61 JB8 0.9235
62 TRC 0.9234
63 8G0 0.9231
64 OW4 0.9230
65 INO 0.9229
66 FLC 0.9229
67 CIT 0.9229
68 URQ 0.9228
69 AEG 0.9228
70 PRO GLY 0.9228
71 RUJ 0.9227
72 HCI 0.9220
73 XX2 0.9219
74 M45 0.9219
75 449 0.9212
76 MAH 0.9210
77 SD4 0.9207
78 MR1 0.9206
79 BZ3 0.9196
80 5XC 0.9196
81 REL 0.9194
82 MLT 0.9193
83 ABI 0.9191
84 CHB 0.9191
85 GGL 0.9188
86 PHB 0.9186
87 3A9 0.9185
88 Q9Z 0.9184
89 ONL 0.9182
90 DEW 0.9182
91 0VT 0.9181
92 XRG 0.9177
93 4HP 0.9174
94 K34 0.9173
95 OMD 0.9170
96 AHN 0.9169
97 4CS 0.9169
98 LMR 0.9166
99 NCD 0.9164
100 9YT 0.9163
101 DII 0.9162
102 SEP 0.9156
103 AOS 0.9153
104 E79 0.9150
105 1L5 0.9150
106 RD4 0.9149
107 SYM 0.9149
108 URP 0.9147
109 HZP 0.9147
110 GOJ 0.9146
111 RNT 0.9145
112 DHB 0.9144
113 HA5 0.9141
114 ICO 0.9141
115 FOC 0.9140
116 2HU 0.9139
117 4WL 0.9137
118 ICB 0.9137
119 15N 0.9137
120 AL0 0.9133
121 F9Y 0.9132
122 5WZ 0.9130
123 SRT 0.9130
124 P9P 0.9129
125 PAB 0.9129
126 IAC 0.9127
127 HBU 0.9127
128 6KT 0.9127
129 3SL 0.9126
130 AMH 0.9126
131 PAC 0.9123
132 PHU 0.9123
133 2HO 0.9121
134 R67 0.9121
135 E5X 0.9120
136 93K 0.9118
137 K6V 0.9118
138 OEG 0.9117
139 APG 0.9115
140 TYL 0.9112
141 5HY 0.9112
142 MYJ 0.9111
143 LDP 0.9110
144 9ON 0.9107
145 LFC 0.9107
146 0JD 0.9107
147 LYS 0.9106
148 DAS 0.9106
149 HIO 0.9103
150 4P5 0.9101
151 NPO 0.9098
152 KTA 0.9096
153 IHB 0.9091
154 98J 0.9089
155 9J3 0.9088
156 KDG 0.9088
157 MPJ 0.9084
158 GLY GLY 0.9084
159 FA0 0.9084
160 OVP 0.9082
161 GAB 0.9082
162 NIZ 0.9081
163 2F6 0.9079
164 CUW 0.9078
165 3OC 0.9078
166 DOB 0.9077
167 OSE 0.9076
168 VNL 0.9076
169 8OZ 0.9075
170 AC6 0.9074
171 7WG 0.9073
172 2AL 0.9071
173 RNS 0.9069
174 BHU 0.9069
175 9FL 0.9069
176 HA7 0.9068
177 3AL 0.9066
178 DHY 0.9065
179 GCO 0.9064
180 NF3 0.9063
181 S8V 0.9062
182 S24 0.9062
183 97T 0.9062
184 GBN 0.9061
185 HC4 0.9061
186 J9Q 0.9061
187 2BX 0.9056
188 C2Y 0.9055
189 1BN 0.9052
190 5ZZ 0.9052
191 PO6 0.9052
192 X0V 0.9050
193 RMN 0.9049
194 2LP 0.9048
195 650 0.9048
196 3BU 0.9048
197 ORN 0.9047
198 ICT 0.9046
199 OVV 0.9046
200 TAG 0.9043
201 3HB 0.9043
202 BNF 0.9042
203 DXP 0.9042
204 CWJ 0.9040
205 NLE 0.9039
206 RAT 0.9038
207 QSB 0.9037
208 ODO 0.9037
209 4ZA 0.9036
210 PBZ 0.9035
211 LNO 0.9034
212 TSR 0.9034
213 FUD 0.9033
214 M44 0.9033
215 Q02 0.9032
216 8WO 0.9031
217 P72 0.9031
218 9TW 0.9030
219 PPR 0.9030
220 F31 0.9030
221 PNZ 0.9030
222 LUQ 0.9029
223 M5E 0.9028
224 G3P 0.9026
225 S2P 0.9025
226 4SX 0.9024
227 TIH 0.9024
228 DER 0.9022
229 DHI 0.9022
230 BZ2 0.9022
231 YZM 0.9021
232 HQJ 0.9020
233 PPY 0.9020
234 HHH 0.9018
235 URS 0.9017
236 QY9 0.9017
237 9ZE 0.9015
238 PEP 0.9015
239 2O6 0.9014
240 5RN 0.9014
241 4M0 0.9012
242 CFI 0.9012
243 3HP 0.9011
244 HSO 0.9010
245 HL5 0.9008
246 ROR 0.9008
247 HG3 0.9007
248 53C 0.9006
249 ISZ 0.9004
250 1P3 0.9004
251 LLH 0.9004
252 5DL 0.9004
253 ET2 0.9003
254 7MW 0.9002
255 CXP 0.9002
256 FIX 0.9000
257 3S5 0.9000
258 0GZ 0.8999
259 I3A 0.8998
260 J9T 0.8997
261 M6H 0.8996
262 069 0.8996
263 3QM 0.8996
264 0F9 0.8995
265 PZI 0.8994
266 OEM 0.8993
267 BHA 0.8990
268 61M 0.8989
269 MZT 0.8988
270 DIR 0.8988
271 52C 0.8985
272 R2P 0.8983
273 PSJ 0.8982
274 K6H 0.8981
275 7OD 0.8981
276 SOR 0.8981
277 3C4 0.8981
278 FBM 0.8980
279 13P 0.8978
280 5CU 0.8978
281 EYV 0.8978
282 MAJ 0.8977
283 ANN 0.8977
284 JLZ 0.8976
285 94W 0.8976
286 O45 0.8975
287 5LD 0.8974
288 OKG 0.8974
289 6TZ 0.8973
290 DE5 0.8972
291 4NB 0.8971
292 FBB 0.8970
293 E4P 0.8969
294 6FZ 0.8969
295 PCA 0.8968
296 RB5 0.8968
297 SOL 0.8968
298 M2K 0.8967
299 HQ9 0.8965
300 DNF 0.8964
301 54G 0.8963
302 4MA 0.8963
303 AT3 0.8963
304 MUC 0.8963
305 GWM 0.8963
306 SKJ 0.8963
307 GTQ 0.8962
308 0L1 0.8961
309 NXA 0.8959
310 3AB 0.8959
311 2BG 0.8959
312 3YP 0.8958
313 TAR 0.8958
314 3CR 0.8956
315 MSR 0.8956
316 BPN 0.8952
317 LPK 0.8952
318 XLS 0.8950
319 8XL 0.8949
320 MET 0.8948
321 SDD 0.8947
322 I4B 0.8947
323 RBJ 0.8947
324 DXG 0.8946
325 XYL 0.8945
326 RB0 0.8945
327 ATX 0.8945
328 SLS 0.8945
329 ACH 0.8945
330 4JT 0.8945
331 L14 0.8944
332 M4T 0.8943
333 4FH 0.8942
334 4TB 0.8941
335 PQK 0.8941
336 G3H 0.8941
337 PIM 0.8940
338 SN4 0.8940
339 ES2 0.8940
340 K2T 0.8938
341 1Y6 0.8938
342 BHO 0.8938
343 XIY 0.8936
344 TSS 0.8932
345 23J 0.8930
346 COI 0.8930
347 717 0.8930
348 E1T 0.8929
349 AFS 0.8929
350 N2Z 0.8929
351 KOJ 0.8928
352 BZX 0.8928
353 7BC 0.8928
354 CLW 0.8927
355 TYE 0.8926
356 4FA 0.8925
357 Z82 0.8925
358 9FE 0.8924
359 LX1 0.8924
360 5FX 0.8924
361 MQB 0.8923
362 HBD 0.8922
363 GLR 0.8922
364 GLO 0.8922
365 ONH 0.8921
366 RBL 0.8918
367 2PG 0.8918
368 EKZ 0.8917
369 PMF 0.8917
370 A29 0.8917
371 BCU 0.8917
372 PH3 0.8916
373 ENV 0.8916
374 8ZE 0.8916
375 4TU 0.8916
376 LNR 0.8915
377 DLY 0.8915
378 VGD 0.8914
379 HDL 0.8913
380 QDK 0.8912
381 S7A 0.8912
382 NCT 0.8912
383 FQI 0.8911
384 Q06 0.8910
385 9X6 0.8909
386 3BZ 0.8909
387 SHA 0.8909
388 SME 0.8907
389 SNO 0.8907
390 GPJ 0.8906
391 GPF 0.8906
392 CCE 0.8906
393 TEO 0.8906
394 HPS 0.8905
395 ESX 0.8905
396 NM2 0.8905
397 AZM 0.8904
398 0LH 0.8904
399 M3H 0.8903
400 4JQ 0.8902
401 14J 0.8902
402 DA4 0.8900
403 N2I 0.8900
404 NDH 0.8899
405 36R 0.8898
406 6CS 0.8897
407 R20 0.8897
408 Q03 0.8897
409 MTL 0.8895
410 1AL 0.8895
411 HFA 0.8894
412 3NT 0.8894
413 XBT 0.8894
414 56D 0.8894
415 3DM 0.8894
416 8U3 0.8891
417 SKM 0.8890
418 PZM 0.8889
419 92P 0.8888
420 SW7 0.8887
421 LEU 0.8886
422 HPV 0.8884
423 5RG 0.8884
424 RNO 0.8883
425 SPV 0.8882
426 TCA 0.8880
427 NMJ 0.8879
428 268 0.8879
429 MEV 0.8878
430 ACA 0.8878
431 HDH 0.8878
432 FOM 0.8878
433 F9P 0.8876
434 ESP 0.8876
435 MSL 0.8876
436 N9J 0.8876
437 GZ3 0.8875
438 TPO 0.8874
439 MNP 0.8874
440 AHC 0.8873
441 1P8 0.8869
442 FAN 0.8869
443 CHH 0.8868
444 CXF 0.8867
445 TPA 0.8867
446 HMS 0.8865
447 RM1 0.8864
448 BSX 0.8864
449 IP8 0.8864
450 NNO 0.8863
451 PRY 0.8862
452 FCR 0.8862
453 FEH 0.8862
454 0FA 0.8862
455 DHR 0.8862
456 GP9 0.8861
457 5NU 0.8861
458 GJZ 0.8860
459 FHB 0.8860
460 49F 0.8860
461 PBA 0.8860
462 7O4 0.8860
463 463 0.8860
464 7C3 0.8860
465 NM3 0.8859
466 II6 0.8859
467 CS2 0.8859
468 NLP 0.8858
469 CPZ 0.8858
470 A3M 0.8857
471 L5V 0.8857
472 NFA 0.8856
473 OCH 0.8856
474 4I8 0.8853
475 YRL 0.8853
476 SYC 0.8853
477 PIY 0.8852
478 KTW 0.8852
479 IOS 0.8850
480 SHI 0.8850
481 1SV 0.8849
482 N6C 0.8849
483 COU 0.8848
484 86L 0.8847
485 IPB 0.8846
486 03V 0.8846
487 WCE 0.8845
488 J9N 0.8845
489 HYA 0.8844
490 51R 0.8844
491 B85 0.8844
492 PJW 0.8843
493 YPN 0.8842
494 AEF 0.8839
495 CCD 0.8838
496 4LV 0.8838
497 J0Z 0.8838
498 IFP 0.8838
499 0OC 0.8837
500 MES 0.8837
501 4FS 0.8836
502 ZBT 0.8836
503 ASC 0.8835
504 45L 0.8834
505 GLY GLY GLY 0.8834
506 2AQ 0.8834
507 JB5 0.8834
508 4LW 0.8833
509 S0E 0.8833
510 H42 0.8832
511 1FD 0.8831
512 KDV 0.8831
513 DHM 0.8830
514 NVU 0.8830
515 ES5 0.8829
516 4YO 0.8829
517 CH9 0.8828
518 SHV 0.8828
519 MNN 0.8827
520 PRA 0.8826
521 PEQ 0.8826
522 SRO 0.8825
523 11C 0.8825
524 92K 0.8824
525 1M2 0.8824
526 AAN 0.8824
527 5RO 0.8824
528 TSU 0.8823
529 4BZ 0.8823
530 URO 0.8823
531 AG2 0.8822
532 TZF 0.8822
533 4A3 0.8822
534 GDE 0.8821
535 6LW 0.8820
536 PGH 0.8819
537 ONR 0.8819
538 24B 0.8818
539 EA1 0.8817
540 7N0 0.8815
541 TZM 0.8814
542 KJU 0.8814
543 2FY 0.8814
544 DYA 0.8813
545 EUG 0.8813
546 PC 0.8813
547 9R5 0.8813
548 SNU 0.8811
549 8GC 0.8810
550 HBA 0.8810
551 SNE 0.8809
552 BQ2 0.8809
553 8H8 0.8809
554 K7M 0.8809
555 0BP 0.8808
556 5M0 0.8806
557 TZL 0.8806
558 9TZ 0.8805
559 DIE 0.8804
560 MEQ 0.8803
561 EHM 0.8802
562 IWT 0.8800
563 KDF 0.8799
564 MHO 0.8799
565 OTR 0.8796
566 ESI 0.8796
567 B40 0.8795
568 I1E 0.8793
569 UN1 0.8793
570 OOG 0.8791
571 XEN 0.8791
572 MS9 0.8791
573 F60 0.8790
574 B3M 0.8790
575 261 0.8789
576 QMP 0.8789
577 I3E 0.8789
578 A5E 0.8789
579 40F 0.8789
580 HHT 0.8788
581 GZ2 0.8786
582 HIC 0.8784
583 NLG 0.8784
584 P9E 0.8783
585 4NM 0.8782
586 GO2 0.8780
587 54Z 0.8780
588 4SD 0.8780
589 F4E 0.8780
590 259 0.8780
591 GRO 0.8778
592 TT4 0.8777
593 1X4 0.8776
594 2RH 0.8775
595 4LR 0.8774
596 JAE 0.8774
597 DJN 0.8773
598 11S 0.8773
599 FBW 0.8773
600 3HA 0.8772
601 36Y 0.8772
602 XUL 0.8771
603 PPT 0.8771
604 MZM 0.8770
605 HX4 0.8769
606 3R6 0.8768
607 258 0.8768
608 DPN 0.8768
609 NFM 0.8767
610 4HC 0.8767
611 2LY 0.8766
612 4VY 0.8766
613 BZJ 0.8766
614 3HM 0.8765
615 CFA 0.8765
616 SAN 0.8764
617 TH7 0.8764
618 AMS 0.8763
619 2CO 0.8762
620 X1R 0.8761
621 JZ4 0.8760
622 DBH 0.8760
623 BNL 0.8759
624 9CA 0.8759
625 TGX 0.8758
626 3V4 0.8758
627 42C 0.8757
628 263 0.8757
629 M4S 0.8756
630 AHB 0.8756
631 KMT 0.8755
632 DHK 0.8754
633 0V5 0.8754
634 6AI 0.8754
635 H4N 0.8754
636 DIG 0.8754
637 1IT 0.8753
638 2K4 0.8753
639 14O 0.8753
640 1DV 0.8752
641 RTK 0.8752
642 IT9 0.8751
643 MPV 0.8751
644 4VP 0.8750
645 FYU 0.8749
646 4AV 0.8749
647 E1P 0.8749
648 3PO 0.8746
649 1WC 0.8746
650 5LA 0.8745
651 5H1 0.8744
652 AAS 0.8743
653 5GU 0.8741
654 NYL 0.8741
655 EVF 0.8740
656 PRZ 0.8739
657 EYK 0.8738
658 GLC 0.8737
659 FK1 0.8736
660 HPP 0.8735
661 CLT 0.8735
662 AOT 0.8734
663 PEA 0.8734
664 EXD 0.8734
665 KVP 0.8732
666 PLU 0.8731
667 HY1 0.8731
668 264 0.8731
669 LEL 0.8731
670 4HM 0.8731
671 1DJ 0.8730
672 FP1 0.8730
673 N1E 0.8730
674 GXY 0.8729
675 M4E 0.8728
676 LQ2 0.8727
677 SIN 0.8727
678 PKU 0.8725
679 HMH 0.8725
680 FBS 0.8723
681 4Z4 0.8723
682 MLE 0.8722
683 L99 0.8721
684 FBJ 0.8720
685 5MB 0.8720
686 C1M 0.8720
687 MD0 0.8719
688 HL4 0.8718
689 7HQ 0.8718
690 S7J 0.8718
691 Z5P 0.8716
692 SAF 0.8716
693 4J8 0.8715
694 54D 0.8714
695 7A8 0.8714
696 HTX 0.8714
697 SYV 0.8713
698 4RW 0.8712
699 8SZ 0.8712
700 Z13 0.8711
701 1SA 0.8711
702 NSP 0.8711
703 2AS 0.8710
704 0FK 0.8709
705 6R8 0.8708
706 JYD 0.8707
707 DBX 0.8706
708 UNJ 0.8705
709 4AA 0.8705
710 OK7 0.8705
711 7MU 0.8705
712 HF2 0.8705
713 UGC 0.8705
714 NSB 0.8704
715 7VP 0.8703
716 5WY 0.8702
717 FBF 0.8701
718 URC 0.8700
719 OTD 0.8700
720 091 0.8696
721 IFL 0.8696
722 J6W 0.8694
723 XCZ 0.8694
724 AHR 0.8694
725 VXX 0.8694
726 HLD 0.8693
727 KYA 0.8693
728 12T 0.8692
729 JFJ 0.8687
730 J9W 0.8685
731 SF9 0.8684
732 RUY 0.8684
733 4JL 0.8684
734 BP9 0.8683
735 HMU 0.8683
736 EOL 0.8683
737 ABV 0.8683
738 1LN 0.8682
739 ZZT 0.8682
740 1A7 0.8681
741 M1E 0.8680
742 NAG 0.8679
743 M1Q 0.8676
744 BDP 0.8674
745 36E 0.8671
746 T9G 0.8670
747 CTL 0.8670
748 BRT 0.8670
749 6NA 0.8670
750 F4K 0.8669
751 FE DB1 0.8669
752 M5H 0.8668
753 F0J 0.8667
754 GVG 0.8665
755 CCU 0.8663
756 4JC 0.8663
757 5RP 0.8662
758 K97 0.8662
759 P4B 0.8662
760 4PN 0.8661
761 GV9 0.8657
762 RES 0.8655
763 5HN 0.8655
764 826 0.8655
765 PG0 0.8651
766 SF6 0.8650
767 HNK 0.8647
768 XIZ 0.8644
769 LFR 0.8643
770 F12 0.8643
771 4V2 0.8642
772 QFJ 0.8641
773 JF6 0.8640
774 QUS 0.8639
775 9RH 0.8639
776 428 0.8639
777 MXN 0.8638
778 W81 0.8637
779 NLA 0.8635
780 AVI 0.8634
781 FBA 0.8630
782 MZW 0.8629
783 KPC 0.8629
784 1Z6 0.8627
785 EN1 0.8624
786 ASO 0.8624
787 M0W 0.8621
788 KTJ 0.8620
789 3FH 0.8619
790 FRU 0.8619
791 C2A 0.8618
792 EPR 0.8618
793 7Q1 0.8617
794 2HC 0.8613
795 INE 0.8609
796 DAR 0.8609
797 ALE 0.8608
798 TYR 0.8603
799 DPF 0.8603
800 1VK 0.8592
801 GZQ 0.8587
802 8TX 0.8581
803 44V 0.8577
804 HNL 0.8575
805 MO8 0.8575
806 2C2 0.8573
807 174 0.8572
808 SX1 0.8571
809 ZXD 0.8570
810 FHC 0.8570
811 4BY 0.8563
812 XDK 0.8562
813 PEY 0.8561
814 GTR 0.8559
815 FX1 0.8559
816 4P0 0.8551
817 GCB 0.8549
818 4RU 0.8543
819 1P7 0.8541
820 4ZD 0.8537
821 3MF 0.8536
822 B62 0.8531
823 AX3 0.8531
824 7QS 0.8523
825 MSE 0.8504
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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