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Receptor
PDB id Resolution Class Description Source Keywords
4NEC 1.5 Å EC: 2.-.-.- CONVERSION OF A DISULFIDE BOND INTO A THIOACETAL GROUP DURIN ECHINOMYCIN BIOSYNTHESIS STREPTOMYCES LASALIENSIS METHYLTRANSFERASE SAM-DEPENDENT METHYLTRANSFERASE TRANSFERANTIBIOTIC COMPLEX
Ref.: CONVERSION OF A DISULFIDE BOND INTO A THIOACETAL GR DURING ECHINOMYCIN BIOSYNTHESIS ANGEW.CHEM.INT.ED.ENGL. 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAH A:401;
B:401;
C:401;
D:401;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
PGE D:404;
A:402;
Invalid;
Invalid;
none;
none;
submit data
150.173 C6 H14 O4 C(COC...
NA A:404;
C:402;
A:403;
Invalid;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
15P D:403;
D:402;
Invalid;
Invalid;
none;
none;
submit data
1529.83 C69 H140 O35 COCCO...
DSN ALA N2C MVA DSN ALA NCY MVA QUI QUI G:1;
H:1;
F:1;
E:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
1105.31 n/a S(C)C...
ACT B:402;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NEC 1.5 Å EC: 2.-.-.- CONVERSION OF A DISULFIDE BOND INTO A THIOACETAL GROUP DURIN ECHINOMYCIN BIOSYNTHESIS STREPTOMYCES LASALIENSIS METHYLTRANSFERASE SAM-DEPENDENT METHYLTRANSFERASE TRANSFERANTIBIOTIC COMPLEX
Ref.: CONVERSION OF A DISULFIDE BOND INTO A THIOACETAL GR DURING ECHINOMYCIN BIOSYNTHESIS ANGEW.CHEM.INT.ED.ENGL. 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4NEC - DSN ALA N2C MVA DSN ALA NCY MVA QUI QUI n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 4NEC - DSN ALA N2C MVA DSN ALA NCY MVA QUI QUI n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4NEC - DSN ALA N2C MVA DSN ALA NCY MVA QUI QUI n/a n/a
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
Ligand no: 2; Ligand: DSN ALA N2C MVA DSN ALA NCY MVA QUI QUI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DSN ALA N2C MVA DSN ALA NCY MVA QUI QUI 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NEC; Ligand: SAH; Similar sites found with APoc: 719
This union binding pocket(no: 1) in the query (biounit: 4nec.bio4) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4ITU NAI 1.13636
2 5GWT NAD 1.13636
3 4ITU 1HS 1.13636
4 5GWT SIN 1.13636
5 2DTX BMA 1.13636
6 2PT9 2MH 1.24611
7 2PT9 S4M 1.24611
8 2I7C AAT 1.41343
9 1GQ2 OXL 1.51515
10 1SB8 UD2 1.51515
11 1SB8 NAD 1.51515
12 2RGO FAD 1.51515
13 3AFN NAP 1.55039
14 4FN4 NAD 1.5748
15 2AOT SAH 1.89394
16 1JQD SAH 1.89394
17 2DPM SAM 1.89394
18 3A4V NAD 1.89394
19 3A4V PYR 1.89394
20 1JQD HSM 1.89394
21 6B92 SAH 1.89394
22 3KLJ FAD 1.89394
23 3K6V CIT 1.89394
24 2C7G ODP 1.89394
25 2C7G FAD 1.89394
26 3RKR NAP 1.9084
27 1JJV ATP 1.94175
28 6GFK SAH 1.99203
29 2JAH NDP 2.02429
30 2JAP NDP 2.02429
31 2HMT NAI 2.08333
32 1VL8 NAP 2.24719
33 1RJD SAM 2.27273
34 2OBF SAH 2.27273
35 2OBF F83 2.27273
36 3VYW SAM 2.27273
37 4Y9D NAI 2.27273
38 4RPL FAD 2.27273
39 4RPL 3UC 2.27273
40 3TKA SAM 2.27273
41 2GV8 FAD 2.27273
42 6FHO FAD 2.27273
43 4D5G TPP 2.27273
44 4D5G FAD 2.27273
45 3GMB FAD 2.27273
46 2GVC FAD 2.27273
47 1VQW FAD 2.27273
48 5HXI FAD 2.27273
49 5HXI 5HN 2.27273
50 6F7L FAD 2.27273
51 5G3U FDA 2.27273
52 5G3U ITW 2.27273
53 4NTD FAD 2.27273
54 3HB5 NAP 2.27273
55 4CNK FAD 2.27273
56 3NTD FAD 2.27273
57 3CGB FAD 2.27273
58 4D7E FAD 2.27273
59 3LRE ADP 2.27273
60 2AE2 PTO 2.30769
61 2AE2 NAP 2.30769
62 1Q0S SAH 2.3166
63 5FFF NAP 2.33463
64 5FFF 5XC 2.33463
65 2CFC NAD 2.4
66 1O5I NAD 2.40964
67 5T2U NAP 2.41935
68 1Q7B NAP 2.45902
69 6F4W FMC 2.57511
70 3TKY SAH 2.65152
71 3P9C SAH 2.65152
72 4DMG SAM 2.65152
73 3S1S SAH 2.65152
74 1KYZ SAH 2.65152
75 1NW5 SAM 2.65152
76 1KYZ FER 2.65152
77 2UYQ SAM 2.65152
78 4N49 SAM 2.65152
79 5JAQ NAI 2.65152
80 1JA9 NDP 2.65152
81 1ORR NAD 2.65152
82 4HXY NDP 2.65152
83 2NYA MGD 2.65152
84 5DF1 NAP 2.65152
85 5DF1 58X 2.65152
86 3CH6 NAP 2.65152
87 3CH6 311 2.65152
88 2VVL FAD 2.65152
89 2VVM FAD 2.65152
90 1E5Q NDP 2.65152
91 4OPC PGT 2.65152
92 4OPC FDA 2.65152
93 4AP3 NAP 2.65152
94 4AP3 FAD 2.65152
95 5JWC FAD 2.65152
96 4BJZ FAD 2.65152
97 4BJZ P3A 2.65152
98 3COB ADP 2.65152
99 6GAS FAD 2.65152
100 3LXD FAD 2.65152
101 2B9W FAD 2.65152
102 1T5C ADP 2.65152
103 4I4Z 2NE 2.65152
104 5K7U SAM 2.66667
105 1E3W NAD 2.68199
106 1E6W NAD 2.69231
107 5IL1 SAM 2.83019
108 1PR9 NAP 2.86885
109 3D3W NAP 2.86885
110 5JCM FAD 2.88248
111 5JCM ISD 2.88248
112 5JCM NAD 2.88248
113 3CBG SAH 3.01724
114 4A6D SAM 3.0303
115 6ARJ SAH 3.0303
116 6ARJ BW4 3.0303
117 5DXA SFG 3.0303
118 5DX8 SFG 3.0303
119 5DX0 SFG 3.0303
120 5DX1 SFG 3.0303
121 5DWQ SFG 3.0303
122 2PX8 SAH 3.0303
123 3L9W AMP 3.0303
124 2YY7 NAD 3.0303
125 2EJU SAH 3.0303
126 3L9W GSH 3.0303
127 1BC5 SAH 3.0303
128 3C3Y SAH 3.0303
129 3ABI NAD 3.0303
130 3QWI CUE 3.0303
131 3QWI NAP 3.0303
132 5NA1 FAD 3.0303
133 1GZ6 NAI 3.0303
134 5K0A FAD 3.0303
135 3E1T FAD 3.0303
136 5NMX FAD 3.0303
137 3GD4 NAD 3.0303
138 3GD4 FAD 3.0303
139 1YQZ FAD 3.0303
140 3Q9T FAY 3.0303
141 5UAO FAD 3.0303
142 4DSG UDP 3.0303
143 4DSG FAD 3.0303
144 5NMX NAP 3.0303
145 4BHL ARG 3.0303
146 3LZW NAP 3.0303
147 6GAR FAD 3.0303
148 4JLZ UTP 3.0303
149 3GF4 FAD 3.0303
150 5TTJ FAD 3.0303
151 3LZW FAD 3.0303
152 5CGE 51F 3.0303
153 4EMI NAD 3.0303
154 4EMI FAD 3.0303
155 1GPE FAD 3.0303
156 5X68 FAD 3.0303
157 3OZ2 FAD 3.0303
158 3AB1 FAD 3.0303
159 4BV6 FAD 3.0303
160 5FJN BE2 3.07018
161 5FJN FAD 3.07018
162 1NFQ NAI 3.07692
163 5OJI ISN 3.07692
164 5OJI NAP 3.07692
165 3OID NDP 3.10078
166 1RSG FAD 3.10078
167 1YY5 FAD 3.11891
168 1GEG NAD 3.125
169 1ZK4 NAP 3.18725
170 2AG5 NAD 3.25203
171 2PXX SAH 3.25581
172 1EDO NAP 3.27869
173 4FZV SAM 3.34728
174 5E8J SAH 3.40909
175 5E9W SAH 3.40909
176 3QOX SAH 3.40909
177 5MW4 5JU 3.40909
178 2ZWA SAH 3.40909
179 4PIO SAH 3.40909
180 4PIO AVI 3.40909
181 1BDB NAD 3.40909
182 4M37 SAH 3.40909
183 3FUU ADN 3.40909
184 1JQ3 AAT 3.40909
185 3NDJ SAH 3.40909
186 3NDJ JHZ 3.40909
187 4M38 SAH 3.40909
188 1X87 NAD 3.40909
189 4B63 NAP 3.40909
190 4B63 ORN 3.40909
191 4B63 FAD 3.40909
192 2VVG ADP 3.40909
193 1TZD ADP 3.40909
194 1ZBQ NAD 3.40909
195 4RF7 ARG 3.40909
196 4I42 1HA 3.40909
197 6H3O FAD 3.40909
198 4BG4 ARG 3.40909
199 2BRY FAD 3.40909
200 2XT3 ADP 3.40909
201 1D7O NAD 3.40909
202 1D7O TCL 3.40909
203 2HQM FAD 3.40909
204 2Y65 ADP 3.40909
205 5ZYN FAD 3.40909
206 1R6D DAU 3.40909
207 1R6D NAD 3.40909
208 4FWE FAD 3.40909
209 2NVK FAD 3.40909
210 1RYI FAD 3.40909
211 1OAA OAA 3.4749
212 2Q46 NAP 3.55731
213 4RF2 NAP 3.67647
214 1IM8 SAI 3.68852
215 3CTY FAD 3.76176
216 5ICE SAH 3.78788
217 5ICE 2H4 3.78788
218 1XKQ NDP 3.78788
219 4YUW 4JU 3.78788
220 2GN4 NDP 3.78788
221 4YAG NAI 3.78788
222 2GN4 UD1 3.78788
223 4YUW S4M 3.78788
224 6EL3 NAP 3.78788
225 4FC7 COA 3.78788
226 4FC7 NAP 3.78788
227 1V59 NAD 3.78788
228 1UDB UFG 3.78788
229 1UDB NAD 3.78788
230 2IV2 2MD 3.78788
231 1V59 FAD 3.78788
232 3U31 NAD 3.78788
233 5KXE 6Y2 3.78788
234 2IV2 MGD 3.78788
235 1V35 NAI 3.78788
236 3NKS FAD 3.78788
237 4USI AKG 3.8961
238 3FPZ AHZ 3.98773
239 4CQM NAP 4.09836
240 3O7W SAM 4.16667
241 3GCZ SAM 4.16667
242 3FPF TNA 4.16667
243 3FPF MTA 4.16667
244 2JB2 FAD 4.16667
245 2JB2 PHE 4.16667
246 5VN0 FAD 4.16667
247 4YAC NAI 4.16667
248 5VN0 NAI 4.16667
249 5J60 FAD 4.16667
250 2RH4 EMO 4.16667
251 1GY8 NAD 4.16667
252 3FSY SCA 4.16667
253 4Z24 FAD 4.16667
254 4D04 FAD 4.16667
255 4D04 NAP 4.16667
256 3WGT QSC 4.16667
257 3WGT FAD 4.16667
258 4USR FAD 4.16667
259 2PK3 A2R 4.16667
260 1U7T TDT 4.21456
261 1U7T NAD 4.21456
262 5HJM MTA 4.26136
263 2PWY SAH 4.26357
264 3VZS NAP 4.28016
265 1NNU TCT 4.36681
266 1NNU NAD 4.36681
267 2EWM NAD 4.41767
268 1EJ0 SAM 4.44444
269 3I53 SAH 4.54545
270 4X60 3XV 4.54545
271 4X60 SFG 4.54545
272 4GQB 0XU 4.54545
273 1G55 SAH 4.54545
274 5FA5 MTA 4.54545
275 1YXM ADE 4.54545
276 1XG5 NAP 4.54545
277 4KGD FAD 4.54545
278 4KGD TDP 4.54545
279 1RKX NAD 4.54545
280 1XHC FAD 4.54545
281 4TXI FAD 4.54545
282 6FP4 FAD 4.54545
283 6FP4 E1T 4.54545
284 1YBH FAD 4.54545
285 1VKO NAD 4.54545
286 5GSN NAP 4.54545
287 5GSN FAD 4.54545
288 1RJW ETF 4.54545
289 1F9V ADP 4.54545
290 5ME4 HP4 4.54545
291 6A20 ADP 4.54545
292 6DNT NAD 4.54545
293 1ODJ GMP 4.68085
294 4GKV NAD 4.7619
295 3SJ7 NDP 4.7619
296 1SQL GUN 4.79452
297 1DCP HBI 4.80769
298 4II2 ATP 4.81928
299 1QAN SAH 4.91803
300 2BD0 NAP 4.91803
301 2VDV SAM 4.92424
302 5FWA J7C 4.92424
303 3EVF SAH 4.92424
304 3EVF GTA 4.92424
305 3EVG SAH 4.92424
306 2P41 SAH 4.92424
307 5ERG SAM 4.92424
308 6BQ6 TER 4.92424
309 5K4W THR 4.92424
310 5K4W NAI 4.92424
311 5EJ2 NAD 4.92424
312 1Y8Q ATP 4.92424
313 6F9Q NAD 4.92424
314 2CDU FAD 4.92424
315 1Z6Z NAP 4.92424
316 4REP FAD 4.92424
317 2WPF WPF 4.92424
318 2WPF FAD 4.92424
319 3MAG SAH 4.92424
320 5WKC FAD 4.92424
321 6DEN G8A 4.92424
322 6DEN TP9 4.92424
323 6DEN FAD 4.92424
324 3MCT SAH 4.92424
325 1RM0 NAI 4.92424
326 1RM0 D6P 4.92424
327 1T9D FAD 4.92424
328 3NTA FAD 4.92424
329 5MBX SP5 4.92424
330 5MBX FAD 4.92424
331 2Q7V FAD 4.92424
332 2GMH FAD 4.92424
333 6AIN FAD 4.92424
334 2WPB ZZI 4.92424
335 5UR0 NAD 4.92424
336 2V6G NAP 4.94506
337 3FZG SAM 5
338 1S7G APR 5.13834
339 1S7G NAD 5.13834
340 4RSL FAD 5.16854
341 3ML1 MGD 5.18518
342 2O07 SPD 5.26316
343 2O07 MTA 5.26316
344 1WTC ACP 5.26316
345 5CUQ NSC 5.30303
346 5JJR SAH 5.30303
347 2EFJ SAH 5.30303
348 4EUE NAI 5.30303
349 2YX1 SFG 5.30303
350 5BJX NAD 5.30303
351 5BJX UDP 5.30303
352 2C5A GDC 5.30303
353 2C5A NAD 5.30303
354 4J7U YTZ 5.30303
355 4J7U NAP 5.30303
356 5EB4 FAD 5.30303
357 3KO8 NAD 5.30303
358 4K26 SFF 5.30303
359 4K26 NDP 5.30303
360 2YG3 FAD 5.30303
361 1Z45 NAD 5.30303
362 1C0I FAD 5.30303
363 1C0I BE2 5.30303
364 4Q9N NAI 5.30303
365 3H4S ADP 5.30303
366 4FRZ ADP 5.30303
367 2BZG SAH 5.60345
368 4EMJ FAD 5.60748
369 2GDZ NAD 5.61798
370 3KIF GDL 5.66038
371 3GEG NAD 5.66802
372 5FUB SAH 5.68182
373 5YF1 SFG 5.68182
374 5YF1 8V0 5.68182
375 3PT9 SAH 5.68182
376 1I2B UPG 5.68182
377 1I2B USQ 5.68182
378 1I2B NAD 5.68182
379 5YEC ATP 5.68182
380 5G5G MCN 5.68182
381 4O1M NAD 5.68182
382 3B1F NAD 5.68182
383 4L2I FAD 5.70342
384 6CI9 NAP 5.79151
385 1O5O U5P 5.88235
386 3FRH SAH 5.92885
387 1RP0 AHZ 5.98592
388 5BVA FAD 6.06061
389 1I8T FAD 6.06061
390 3GDN FAD 6.06061
391 3GDN HBX 6.06061
392 6ER9 FAD 6.06061
393 6ER9 NAP 6.06061
394 3RFV 15L 6.06061
395 2XVF FAD 6.06061
396 2XVE FAD 6.06061
397 1BXK NAD 6.06061
398 3RFV NAI 6.06061
399 5KOX RFP 6.06061
400 5KOX FAD 6.06061
401 1GTE FAD 6.06061
402 4K5S PM0 6.06061
403 4K5S FAD 6.06061
404 1E1M NAP 6.06061
405 1E1M FAD 6.06061
406 4XQC 13D 6.06061
407 4XQC NAD 6.06061
408 1H5Q NAP 6.06061
409 1H0H MGD 6.07477
410 5Z2L NDP 6.12245
411 1FK8 NAD 6.22568
412 1O97 FAD 6.25
413 1O97 AMP 6.25
414 1A5V Y3 6.32911
415 4XUC 43G 6.42202
416 4XUC SAM 6.42202
417 6GKV SAH 6.43939
418 2WA2 SAM 6.43939
419 5ZW3 SAH 6.43939
420 5XLX SAH 6.43939
421 3A25 SAM 6.43939
422 2JHP SAH 6.43939
423 1GOJ ADP 6.43939
424 4G5H NAP 6.43939
425 4G5H UD7 6.43939
426 3NYC IAR 6.43939
427 3NYC FAD 6.43939
428 4M52 FAD 6.43939
429 3G5S FAD 6.43939
430 1BZL FAD 6.43939
431 5A3B APR 6.43939
432 6D6Y SAH 6.50096
433 1YC5 NCA 6.50407
434 4BUZ OCZ 6.50407
435 4BUZ NAD 6.50407
436 4BUZ OAD 6.50407
437 1G60 SAM 6.53846
438 4BLW AMP 6.57439
439 4BLW SAH 6.57439
440 4OBW SAM 6.61479
441 1WG8 SAM 6.81818
442 4UCI SAM 6.81818
443 3VSE SAH 6.81818
444 2IZ1 ATR 6.81818
445 1EK6 NAI 6.81818
446 1D4D FAD 6.81818
447 1BG2 ADP 6.81818
448 4U8P UDP 6.81818
449 4U8P FDA 6.81818
450 1EK6 UPG 6.81818
451 1GPM AMP 6.81818
452 3LU1 NAD 6.81818
453 3ICT FAD 6.81818
454 3ICR FAD 6.81818
455 3ICS FAD 6.81818
456 3FXU TSU 6.88525
457 4O0L NDP 6.90909
458 3A28 NAD 6.97674
459 4NBW NAD 7.00389
460 5FTW SAH 7.03125
461 3Q87 SAM 7.05882
462 1I1N SAH 7.07965
463 4ZA2 NAD 7.11462
464 4C4A SAH 7.19697
465 3C6K SPD 7.19697
466 1N2X SAM 7.19697
467 3C6K MTA 7.19697
468 2IVD FAD 7.19697
469 3H8V ATP 7.19697
470 5HSA FAS 7.19697
471 1KEW NAD 7.19697
472 1WVG APR 7.19697
473 1KEW TYD 7.19697
474 4YRY FAD 7.19697
475 4YRY NAD 7.19697
476 3AXB FAD 7.19697
477 3AXB PRO 7.19697
478 1W73 NAP 7.19697
479 1W8D NAP 7.19697
480 3WQQ IB3 7.19697
481 3WQQ NDP 7.19697
482 1W6U NAP 7.19697
483 5GT9 NAP 7.22433
484 1XCL SAH 7.23404
485 2CUL FAD 7.32759
486 1R18 SAH 7.48899
487 3GWZ SAH 7.57576
488 3GXO SAH 7.57576
489 5THY SAH 7.57576
490 4Y30 SAH 7.57576
491 4Y30 49L 7.57576
492 5THZ SAH 7.57576
493 2FR1 NDP 7.57576
494 2RGJ FAD 7.57576
495 1UAY ADN 7.85124
496 5J5Z FAD 7.8629
497 5MPT SAH 7.95455
498 3GU3 SAH 7.95455
499 5W7R SAH 7.95455
500 5W7R 9Z7 7.95455
501 1XHL NDP 7.95455
502 3ZV6 4HB 7.95455
503 3ZV6 NAD 7.95455
504 4J1Q NDP 7.95455
505 3WMX NAD 7.95455
506 5KMS FAD 7.95455
507 5KMS NAD 7.95455
508 1EFV FAD 7.95455
509 1EFV AMP 7.95455
510 6F97 FAD 7.95455
511 5XWV NDP 7.95455
512 5XWV 8H6 7.95455
513 4J36 1HR 7.95455
514 1LVL NAD 7.95455
515 2Q28 ADP 7.95455
516 5THQ NDP 7.95455
517 2DKH FAD 7.95455
518 4J36 FAD 7.95455
519 3X0V FAD 7.95455
520 2DKH 3HB 7.95455
521 4X9M FAD 7.95455
522 2PZM UDP 7.95455
523 2PZM NAD 7.95455
524 3ITJ CIT 7.95455
525 5K6A NAP 7.95455
526 3VC1 GST 7.95455
527 3VC1 SAH 7.95455
528 3H4V NAP 7.98611
529 3H4V DVP 7.98611
530 2DKN NAI 8.23529
531 3U40 ADN 8.26446
532 1G8K MGD 8.27068
533 5EEH P9P 8.33333
534 5EEH SAH 8.33333
535 2FK8 SAM 8.33333
536 5X62 SAH 8.33333
537 4ONQ SFG 8.33333
538 3SSO SAH 8.33333
539 2BGM NAJ 8.33333
540 1QO8 FAD 8.33333
541 4X7Y SAH 8.33333
542 5TS5 FAD 8.33333
543 4C3Y FAD 8.33333
544 2HIM ASN 8.33333
545 4JNA FAD 8.33333
546 4AT0 FAD 8.33333
547 2ZXI FAD 8.33333
548 3IHG FAD 8.33333
549 3BGD SAH 8.46154
550 3BGD PM6 8.46154
551 3NUG NAD 8.50202
552 1P1C SAH 8.54271
553 1LSS NAD 8.57143
554 2NXE SAM 8.66142
555 4DA6 GA2 8.69565
556 5ODQ FAD 8.69565
557 3ELW SAM 8.71212
558 3ELW GP3 8.71212
559 1XDS SAM 8.71212
560 1QZZ SAM 8.71212
561 6FDF SAH 8.71212
562 5Z75 NAD 8.71212
563 1PN0 FAD 8.71212
564 1PN0 IPH 8.71212
565 3S5W FAD 8.71212
566 1XSE NDP 8.71212
567 3O03 NAP 8.71212
568 1REO FAD 8.71212
569 2B4Q NAP 8.71212
570 3AD8 NAD 8.71212
571 3EYA FAD 8.71212
572 3DXY SAM 8.7156
573 1ZQ9 SAM 8.77193
574 4J56 FAD 8.77193
575 2VT3 ATP 8.83721
576 1UWK NAD 9.09091
577 1UWK URO 9.09091
578 3RJ5 NAD 9.09091
579 3HDY GDU 9.09091
580 3HDY FDA 9.09091
581 5Y1G AKB 9.09091
582 5Y1G NAD 9.09091
583 3HDY FAD 9.09091
584 5U8U FAD 9.09091
585 2Q1W NAD 9.09091
586 2Q1S NAI 9.09091
587 5YJI SAH 9.15493
588 5YJI 8WO 9.15493
589 4NBT NAD 9.16667
590 1OC2 TDX 9.1954
591 1OC2 NAD 9.1954
592 6DUB SAH 9.45946
593 4LHD GLY 9.4697
594 5WUW NAP 9.4697
595 5FEU NAP 9.4697
596 3SJU NDP 9.4697
597 5XNC MTA 9.4697
598 1G0N NDP 9.4697
599 1G0N PHH 9.4697
600 2IID PHE 9.4697
601 2IID FAD 9.4697
602 3V1U NAD 9.4697
603 2GAG NAD 9.4697
604 6MVU K4V 9.4697
605 4QTU SAM 9.61539
606 4USQ FAD 9.84848
607 4TM3 FAD 9.84848
608 1ELI PYC 9.84848
609 1JT1 MCO 9.88593
610 4POO SAM 10
611 4IWN GEK 10.0437
612 4URF NAD 10.0806
613 2EG5 SAH 10.2273
614 5MLR GRQ 10.2273
615 5MLR NAP 10.2273
616 3U4C NDP 10.3203
617 3TN7 NJP 10.5058
618 3JWH SAH 10.5991
619 1U2Z SAH 10.6061
620 5WGR FAD 10.6061
621 4MIG G3F 10.6061
622 2WSB NAD 10.6299
623 3GDH SAH 10.7884
624 1E6E FAD 10.9375
625 1AE1 NAP 10.9848
626 3UOY NAP 10.9848
627 3UOY FAD 10.9848
628 4R6W PC 11.2403
629 4R6W SAH 11.2403
630 1Z3C SA8 11.3636
631 2ZIF SAM 11.3636
632 5N0J FAD 11.3636
633 1H9A NAP 11.3636
634 5E1M SAH 11.6183
635 5E1M PRO PRO LYS ARG ILE ALA 11.6183
636 2KIN ADP 12
637 5WP4 SAH 12.1212
638 5WP5 SAH 12.1212
639 6BWL NAD 12.1212
640 1H82 GZZ 12.1212
641 1H82 FAD 12.1212
642 4GLL NAD 12.1212
643 1RJ9 GCP 12.1212
644 4M73 SAH 12.5
645 4M73 M72 12.5
646 5DM1 5D7 12.5
647 5DM1 SAH 12.5
648 3MB5 SAM 12.5
649 1NV8 MEQ 12.5
650 1NV8 SAM 12.5
651 5BUK FAD 12.5
652 1ZEM NAD 12.5954
653 3EGI ADP 12.6214
654 5O42 BGC 12.8788
655 5O42 NAD 12.8788
656 5O42 9JW 12.8788
657 4MO2 FDA 12.8788
658 2RAB NAD 12.8788
659 4MO2 FAD 12.8788
660 2QA1 FAD 12.8788
661 4ZCC NAI 12.8788
662 4ZCC FAD 12.8788
663 1U1I NAD 12.8788
664 2RAB FAD 12.8788
665 2A14 SAH 12.9278
666 5KOK S9T 13.2576
667 5KOK SAH 13.2576
668 5KOK R9T 13.2576
669 5DLY 5D7 13.2576
670 5DLY SAH 13.2576
671 4AZW SAM 13.2576
672 5TWB FAD 13.2576
673 3TLJ SAH 13.4048
674 1JG3 ADN 13.617
675 1WY7 SAH 13.6364
676 5L95 AMP 13.75
677 5BRT FAD 14.0152
678 5BRT CH9 14.0152
679 4ZRN NAD 14.0152
680 4ZRN UPG 14.0152
681 4DCM SAM 14.3939
682 4EIP FAD 14.3939
683 4JDR FAD 14.3939
684 3A27 SAM 14.7059
685 2XYQ SAH 14.7541
686 3A4T SFG 14.7727
687 1IY8 NAD 14.7727
688 3GRU AMP 14.7727
689 2C31 ADP 15.1515
690 2C31 TZD 15.1515
691 4NBU NAI 16
692 1PS9 FAD 16.2879
693 2JJQ SAH 16.6667
694 3DMH GMP 16.6667
695 3DMH SAM 16.6667
696 3N8K D1X 16.8605
697 3G2O SAM 17.0455
698 1DL5 SAH 17.803
699 1L1E SAH 18.1818
700 1TPY SAH 21.5909
701 2Y6Q FAD 21.5909
702 2Y6Q I7T 21.5909
703 3G89 SAM 21.6867
704 2F5Z FAD 21.875
705 3LCC SAH 22.1277
706 5M58 SAH 22.6087
707 1KPG SAH 22.7273
708 3X0D SAH 22.7273
709 1KPH SAH 23.1061
710 5MGZ SAH 26.2712
711 3DUW SAH 26.4574
712 2XVM SAH 27.6382
713 5GWX SAR 28.0303
714 5GWX SAM 28.0303
715 1VE3 SAM 29.0749
716 3HVJ 705 29.4118
717 3OFK SAH 32.4074
718 5W7M SAH 35.2273
719 5W7K SAH 41.6667
Pocket No.: 2; Query (leader) PDB : 4NEC; Ligand: SAH; Similar sites found with APoc: 86
This union binding pocket(no: 2) in the query (biounit: 4nec.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5EPO NAP 1.52672
2 1MO9 FAD 2.27273
3 3CGD NAD 2.27273
4 2ZAT NAP 2.30769
5 1U8X NAD 2.65152
6 1T0S BML 2.65152
7 4YNU FAD 3.0303
8 4YNU LGC 3.0303
9 5JCA FAD 3.0303
10 2Z3Y F2N 3.17221
11 1ZK4 AC0 3.18725
12 4U36 TNR 3.33333
13 1RYI GOA 3.40909
14 1FL2 FAD 3.40909
15 2EXX NAP 3.40909
16 4I5I NAD 3.40909
17 4KVL PLM 3.40909
18 1RLZ NAD 4.06504
19 5I39 FAD 4.16667
20 3M6W SAM 4.16667
21 3VZS CAA 4.28016
22 4HA6 FAD 4.33071
23 3ZNN FAD 4.54545
24 3ZNN 4WL 4.54545
25 3AY6 NAI 4.54545
26 3AY6 BGC 4.54545
27 5M67 3D1 4.54545
28 5M67 NAD 4.54545
29 1A69 FMB 4.62185
30 1T9D P25 4.92424
31 1T9D PYD 4.92424
32 1T9D 1MM 4.92424
33 1PL6 572 4.92424
34 1PL6 NAD 4.92424
35 5L13 6ZE 5.30303
36 3F8D FAD 5.30303
37 4KWI 1TJ 5.32319
38 4KWI NAP 5.32319
39 2G5C NAD 5.68182
40 1R37 NAD 5.76369
41 3RIY NAD 6.06061
42 5YW5 ADE 6.14525
43 1Q9I TEO 6.43939
44 1Q9I FAD 6.43939
45 1FEC FAD 6.43939
46 1BZL GCG 6.43939
47 4MOP 2H5 7.19697
48 1PJS NAD 7.57576
49 5JDC NAP 7.95455
50 4CM8 NAP 7.95455
51 5JDI NAP 7.95455
52 3JQF NAP 7.95455
53 4CM9 NAP 7.95455
54 4CM4 NAP 7.95455
55 4CME NAP 7.95455
56 3BMO NAP 7.95455
57 5JCJ NAP 7.95455
58 3BMQ NAP 7.95455
59 4CLR NAP 7.95455
60 4C3Y ANB 8.33333
61 4RDI ATP 8.71212
62 3WXB NDP 8.71212
63 4RDH AMP 8.71212
64 2GAG FOA 9.4697
65 2DT5 NAD 9.47867
66 1N62 MCN 9.72222
67 4HSU FAD 10.2273
68 4GUS FAD 10.2273
69 5MIT NAP 10.6061
70 5MIT FAD 10.6061
71 2VZ0 NAP 10.8209
72 2VZ0 D64 10.8209
73 5OC1 FAD 11.3636
74 2AQJ TRP 11.3636
75 2Q2V NAD 11.3725
76 4YKG FAD 11.7424
77 1JNR FAD 12.5
78 2WOX NDP 13.2576
79 3RNM FAD 13.7931
80 2FZW NAD 15.1515
81 1EU1 MGD 15.9091
82 1PS9 NAP 16.2879
83 3GGO ENO 16.6667
84 3GGO NAI 16.6667
85 3OJO NAD 20.8333
86 4YSX FAD 21.2766
Pocket No.: 3; Query (leader) PDB : 4NEC; Ligand: SAH; Similar sites found with APoc: 37
This union binding pocket(no: 3) in the query (biounit: 4nec.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 3CGD COA 2.27273
3 3CGD FAD 2.27273
4 1MO9 KPC 2.27273
5 1COY FAD 2.27273
6 2R4J FAD 2.27273
7 2R4J 13P 2.27273
8 3ICC NAP 2.35294
9 2UUU FAD 2.65152
10 3GF4 UPG 3.0303
11 1NAA ABL 3.40909
12 4NTC FAD 3.40909
13 4IV9 FAD 3.78788
14 3FC4 EDO 4.16667
15 5M67 ADE 4.54545
16 2CDU ADP 4.92424
17 1UUO ORO 5.68182
18 1UUO FMN 5.68182
19 6CZ7 MGD 6.06061
20 3PNQ 2HA 6.06061
21 5L53 NAP 6.06061
22 1VL0 NAI 6.06061
23 1KQF MGD 6.81818
24 2WYV NAD 6.89655
25 4D42 W0I 7.19697
26 4D42 NAP 7.19697
27 4CLO NAP 7.95455
28 3QFA FAD 7.95455
29 4CMI NAP 7.95455
30 3JQ9 NAP 7.95455
31 4WZA ACP 9.09091
32 2VPY MGD 9.4697
33 5TVI O8N 9.78261
34 4GUT FAD 10.2273
35 2WD7 NAP 10.8209
36 3RUV ANP 12.8788
37 1D8C GLV 13.6364
Pocket No.: 4; Query (leader) PDB : 4NEC; Ligand: SAH; Similar sites found with APoc: 17
This union binding pocket(no: 4) in the query (biounit: 4nec.bio3) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5DRB 5FJ 3.0303
2 2E5V FAD 4.87288
3 6G5J EM8 5.45455
4 2Q0L FAD 6.43087
5 2NCD ADP 7.19697
6 1ZK7 FAD 7.57576
7 2RHW C0E 7.57576
8 3BMN NAP 7.95455
9 3JQG NAP 7.95455
10 3JQ7 NAP 7.95455
11 3JQB NAP 7.95455
12 4D79 ATP 8.33333
13 4OHU NAD 9.09091
14 4OHU 2TK 9.09091
15 2XRH NIO 10
16 5C2N NAG 14.5833
17 2V7Q ADP 24
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