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Receptor
PDB id Resolution Class Description Source Keywords
3IWD 1.9 Å EC: 4.1.1.50 T. MARITIMA ADOMETDC COMPLEX WITH 5'-DEOXY-5'-DIMETHYL THIOA THERMOTOGA MARITIMA AUTOCATALYTIC CLEAVAGE DECARBOXYLASE LYASE POLYAMINE BIOSPYRUVATE S-ADENOSYL-L-METHIONINE SCHIFF BASE SPERMIDINE BIOSYNTHESIS ZYMOGEN
Ref.: COMPLEXES OF THERMOTOGA MARITIMAS-ADENOSYLMETHIONIN DECARBOXYLASE PROVIDE INSIGHTS INTO SUBSTRATE SPECI ACTA CRYSTALLOGR.,SECT.D V. 66 181 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M2T A:368;
D:368;
Valid;
Valid;
none;
none;
submit data
313.376 C12 H19 N5 O3 S CS(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IWD 1.9 Å EC: 4.1.1.50 T. MARITIMA ADOMETDC COMPLEX WITH 5'-DEOXY-5'-DIMETHYL THIOA THERMOTOGA MARITIMA AUTOCATALYTIC CLEAVAGE DECARBOXYLASE LYASE POLYAMINE BIOSPYRUVATE S-ADENOSYL-L-METHIONINE SCHIFF BASE SPERMIDINE BIOSYNTHESIS ZYMOGEN
Ref.: COMPLEXES OF THERMOTOGA MARITIMAS-ADENOSYLMETHIONIN DECARBOXYLASE PROVIDE INSIGHTS INTO SUBSTRATE SPECI ACTA CRYSTALLOGR.,SECT.D V. 66 181 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3IWD - M2T C12 H19 N5 O3 S CS(C)C[C@@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3IWD - M2T C12 H19 N5 O3 S CS(C)C[C@@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3IWD - M2T C12 H19 N5 O3 S CS(C)C[C@@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M2T; Similar ligands found: 257
No: Ligand ECFP6 Tc MDL keys Tc
1 M2T 1 1
2 RAB 0.741379 0.828571
3 ADN 0.741379 0.828571
4 XYA 0.741379 0.828571
5 S4M 0.720588 0.844156
6 5N5 0.716667 0.828571
7 5CD 0.704918 0.84058
8 A4D 0.704918 0.855072
9 EP4 0.698413 0.941176
10 MTA 0.676923 0.940298
11 DTA 0.661538 0.819444
12 3DH 0.656716 0.884058
13 SAM 0.636364 0.878378
14 5AD 0.622951 0.80597
15 MAO 0.616438 0.765432
16 LMS 0.614286 0.705882
17 ZAS 0.614286 0.797297
18 A 0.614286 0.753247
19 AMP 0.614286 0.753247
20 S7M 0.6125 0.828947
21 SMM 0.6125 0.868421
22 ABM 0.611111 0.779221
23 SRA 0.605634 0.7375
24 6RE 0.605634 0.766234
25 DSH 0.597222 0.8
26 AOC 0.597222 0.830986
27 AP2 0.594595 0.707317
28 A12 0.594595 0.707317
29 A2D 0.589041 0.734177
30 J7C 0.589041 0.753247
31 A3N 0.589041 0.819444
32 5AS 0.586667 0.685393
33 GJV 0.581081 0.75641
34 BA3 0.573333 0.734177
35 GEK 0.571429 0.837838
36 M33 0.571429 0.769231
37 MHZ 0.571429 0.765432
38 B4P 0.565789 0.734177
39 ADP 0.565789 0.734177
40 AP5 0.565789 0.734177
41 5X8 0.564103 0.84507
42 ACP 0.564103 0.716049
43 7D7 0.5625 0.75
44 Y3J 0.560606 0.757143
45 A7D 0.558442 0.833333
46 AN2 0.558442 0.725
47 AT4 0.558442 0.728395
48 SON 0.558442 0.707317
49 PRX 0.556962 0.759494
50 APC 0.556962 0.707317
51 ADX 0.551282 0.705882
52 CA0 0.551282 0.716049
53 AU1 0.551282 0.716049
54 ADV 0.55 0.707317
55 SA8 0.55 0.826667
56 RBY 0.55 0.707317
57 EEM 0.548781 0.828947
58 50T 0.544304 0.725
59 SFG 0.544304 0.780822
60 HEJ 0.544304 0.734177
61 ATP 0.544304 0.734177
62 AR6 0.5375 0.734177
63 5FA 0.5375 0.734177
64 APR 0.5375 0.734177
65 AQP 0.5375 0.734177
66 ACQ 0.536585 0.716049
67 3AM 0.534247 0.717949
68 A3G 0.533333 0.783784
69 NEC 0.533333 0.777778
70 A5D 0.530864 0.819444
71 ADP PO3 0.530864 0.776316
72 AD9 0.530864 0.716049
73 AGS 0.530864 0.719512
74 SAP 0.530864 0.719512
75 5AL 0.53012 0.746835
76 3AD 0.529412 0.814286
77 SAI 0.52439 0.786667
78 SAH 0.52439 0.821918
79 G5A 0.52439 0.666667
80 A5A 0.52381 0.709302
81 TAT 0.518072 0.728395
82 GAP 0.518072 0.7375
83 ANP 0.518072 0.716049
84 T99 0.518072 0.728395
85 6YZ 0.517647 0.716049
86 AAT 0.511905 0.75641
87 54H 0.511628 0.732558
88 VMS 0.511628 0.732558
89 52H 0.511628 0.724138
90 ATF 0.505882 0.707317
91 ALF ADP 0.505882 0.719512
92 ADP ALF 0.505882 0.719512
93 53H 0.505747 0.724138
94 DAL AMP 0.505747 0.769231
95 TSB 0.505747 0.701149
96 VO4 ADP 0.5 0.746835
97 5SV 0.5 0.722892
98 9ZA 0.5 0.753086
99 A3S 0.5 0.794521
100 ADP VO4 0.5 0.746835
101 9ZD 0.5 0.753086
102 SSA 0.5 0.666667
103 SRP 0.5 0.707317
104 8QN 0.5 0.746835
105 2AM 0.5 0.708861
106 4AD 0.494382 0.719512
107 PAJ 0.494382 0.756098
108 0UM 0.494382 0.769231
109 LSS 0.494382 0.727273
110 A3P 0.493671 0.730769
111 QQX 0.493333 0.679012
112 CC5 0.492537 0.826087
113 62X 0.488889 0.820513
114 NVA LMS 0.488889 0.7
115 MAP 0.488636 0.698795
116 A22 0.488636 0.725
117 8X1 0.488636 0.645161
118 5CA 0.488636 0.666667
119 A3T 0.487805 0.830986
120 QQY 0.486842 0.6875
121 ACK 0.486842 0.701299
122 7D5 0.486486 0.679012
123 9X8 0.483516 0.740741
124 LEU LMS 0.483516 0.738636
125 K15 0.483516 0.772152
126 OAD 0.483516 0.7375
127 S8M 0.483146 0.789474
128 OOB 0.483146 0.725
129 25A 0.483146 0.734177
130 OVE 0.480519 0.703704
131 26A 0.478873 0.871429
132 PR8 0.478261 0.666667
133 DSZ 0.477778 0.666667
134 ADQ 0.477778 0.716049
135 NSS 0.477778 0.685393
136 A3R 0.477778 0.690476
137 AMO 0.477778 0.707317
138 A1R 0.477778 0.690476
139 2BA 0.475 0.727273
140 CMP 0.475 0.736842
141 B5M 0.473684 0.719512
142 3OD 0.473118 0.7375
143 1ZZ 0.473118 0.697674
144 PTJ 0.473118 0.765432
145 ME8 0.473118 0.759036
146 TXA 0.473118 0.728395
147 SXZ 0.473118 0.853333
148 9K8 0.473118 0.663043
149 NB8 0.473118 0.682353
150 00A 0.472527 0.690476
151 DLL 0.472527 0.725
152 AHX 0.472527 0.682353
153 MYR AMP 0.468085 0.717647
154 SP1 0.467532 0.7125
155 RP1 0.467532 0.7125
156 ADP BMA 0.467391 0.7375
157 A6D 0.467391 0.75
158 3UK 0.467391 0.716049
159 MTP 0.464789 0.783784
160 3D1 0.464789 0.756757
161 3L1 0.464789 0.756757
162 A A 0.462366 0.75641
163 P5A 0.462366 0.638298
164 WAQ 0.462366 0.690476
165 KAA 0.462366 0.645161
166 LAD 0.462366 0.674419
167 B5V 0.462366 0.707317
168 GSU 0.462366 0.666667
169 PAP 0.458824 0.721519
170 6MD 0.458333 0.842857
171 B5Y 0.458333 0.719512
172 2FA 0.458333 0.773333
173 YAP 0.458333 0.698795
174 JB6 0.457447 0.710843
175 BIS 0.457447 0.690476
176 FYA 0.457447 0.725
177 A2P 0.45679 0.717949
178 7MC 0.456311 0.662921
179 D3Y 0.455556 0.773333
180 GA7 0.454545 0.75
181 YSA 0.453608 0.666667
182 25L 0.452632 0.725
183 KB1 0.452632 0.746835
184 2VA 0.452381 0.859155
185 5F1 0.452055 0.739726
186 TYR AMP 0.44898 0.719512
187 9SN 0.447917 0.682353
188 7D3 0.444444 0.662651
189 ATP A A A 0.443299 0.766234
190 FA5 0.443299 0.707317
191 8PZ 0.443299 0.666667
192 PPS 0.443182 0.686047
193 NVA 2AD 0.44186 0.813333
194 7MD 0.44 0.659091
195 XAH 0.438776 0.659091
196 1DA 0.438356 0.828571
197 SO8 0.436782 0.847222
198 VRT 0.436782 0.8
199 NOC 0.43662 0.746479
200 GTA 0.435644 0.717647
201 TAD 0.435644 0.694118
202 DQV 0.435644 0.725
203 KH3 0.435644 0.7625
204 4UV 0.434343 0.698795
205 AMP DBH 0.434343 0.7375
206 V3L 0.431818 0.734177
207 3NZ 0.431579 0.789474
208 AHZ 0.431373 0.717647
209 2A5 0.430233 0.674699
210 G3A 0.43 0.682353
211 7C5 0.43 0.734177
212 YLB 0.428571 0.681818
213 YLP 0.427184 0.662921
214 48N 0.427184 0.702381
215 ARG AMP 0.425743 0.670455
216 AFH 0.425743 0.674419
217 4UU 0.425743 0.698795
218 G5P 0.425743 0.682353
219 AR6 AR6 0.425743 0.75641
220 ATR 0.425287 0.708861
221 7D4 0.423529 0.662651
222 UP5 0.423077 0.698795
223 4UW 0.423077 0.714286
224 AV2 0.422222 0.670732
225 4YB 0.421569 0.652174
226 OMR 0.419048 0.689655
227 WSA 0.419048 0.674157
228 ARJ 0.418919 0.732394
229 COD 0.418182 0.715909
230 LAQ 0.417476 0.678161
231 4TC 0.415094 0.682353
232 AP0 0.415094 0.702381
233 YLC 0.415094 0.678161
234 8Q2 0.415094 0.645161
235 LPA AMP 0.413462 0.697674
236 A2R 0.413043 0.725
237 NAX 0.409524 0.666667
238 NXX 0.409524 0.728395
239 TXD 0.409524 0.710843
240 DND 0.409524 0.728395
241 NAI 0.409524 0.690476
242 6V0 0.409524 0.682353
243 101 0.407407 0.679012
244 A A A 0.40625 0.746835
245 V1N 0.405941 0.734177
246 TYM 0.40566 0.707317
247 AF3 ADP 3PG 0.40566 0.694118
248 TXE 0.40566 0.690476
249 649 0.40566 0.638298
250 T5A 0.40367 0.662921
251 F0P 0.401869 0.75641
252 UPA 0.401869 0.690476
253 CNA 0.4 0.728395
254 IVH 0.4 0.772152
255 AFX 0.4 0.662338
256 AYB 0.4 0.674157
257 3AT 0.4 0.7125
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IWD; Ligand: M2T; Similar sites found with APoc: 301
This union binding pocket(no: 1) in the query (biounit: 3iwd.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 6ALW BNV None
3 1TT8 PHB None
4 3TAY MN0 None
5 2G30 ALA ALA PHE None
6 3TCT 3MI None
7 2HRL SIA GAL SIA BGC NGA CEQ None
8 5J75 6GQ None
9 3KYG 5GP 5GP None
10 2I7N ACO None
11 1T5B FMN None
12 2RDE C2E None
13 4XIZ LPP None
14 4N82 FMN None
15 5ALC TIQ None
16 1N5D NDP None
17 4OXX FMN None
18 5FUI APY None
19 4USI ATP None
20 3ND6 ATP None
21 6CZI 38E None
22 1WN3 HXC None
23 6GNO XDI None
24 5VM0 9EG None
25 5AHM IMP None
26 4Z87 GDP None
27 2VBU CDP None
28 1V3S ATP None
29 1G63 FMN None
30 1E3W NAD None
31 6EBQ FMN 2.94118
32 4CS4 AXZ 2.94118
33 4CS4 ANP 2.94118
34 3QXV MTX 2.94118
35 3C8Z 5CA 3.22581
36 5BW4 SAM 4.41176
37 2NXE SAM 4.41176
38 3EFS BTN 4.41176
39 3VRY B43 4.41176
40 5XVG 8FX 4.83871
41 3GD4 FAD 4.83871
42 3NCQ ATP 4.83871
43 1GVF PGH 4.83871
44 5JOG 6LT 4.83871
45 5LRT ADP 5.88235
46 2WLG SOP 5.88235
47 4GN8 ASO 5.88235
48 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 5.88235
49 5N2D 8J8 5.88235
50 4C0X AQN 5.88235
51 4M38 SAH 5.88235
52 4C0X FMN 5.88235
53 1KZN CBN 5.88235
54 6C0T EE4 5.88235
55 1TL2 NDG 5.88235
56 3LL5 ADP 5.88235
57 3LL5 IPE 5.88235
58 2RGO FAD 5.88235
59 1NFS DED 5.88235
60 3KIF GDL 5.88235
61 5NIU 8YZ 6.25
62 3OV6 MK0 6.45161
63 2Z9C DTC 6.45161
64 2Z9C FMN 6.45161
65 5OM2 DXT 6.45161
66 2OJW ADP 6.45161
67 6CDG PRO GLY LEU TRP LYS SER 6.45161
68 6MPT C30 7.35294
69 2VL1 GLY GLY 7.35294
70 2AG4 OLA 7.35294
71 2AG4 LP3 7.35294
72 6B92 SAH 7.35294
73 6GFK SAH 7.35294
74 1NV8 SAM 7.35294
75 5A89 FMN 7.35294
76 5A89 ADP 7.35294
77 2FK8 SAM 7.35294
78 4NV7 COA 7.35294
79 6CC0 EWM 7.35294
80 3QXQ CE5 7.35294
81 3H2B SAH 8.06452
82 3L9R L9R 8.06452
83 4IEN GDP 8.06452
84 1X1T NAD 8.06452
85 3L9R L9Q 8.06452
86 1VA6 ADP 8.82353
87 1VA6 P2S 8.82353
88 3KYF 5GP 5GP 8.82353
89 1Y0G 8PP 8.82353
90 2IMP NAI 8.82353
91 3PE2 E1B 8.82353
92 5DX0 SFG 8.82353
93 2J9D ADP 8.82353
94 1U6R ADP 8.82353
95 5N5S NAP 8.82353
96 2WME NAP 8.82353
97 2J9D AMP 8.82353
98 1DJL NAP 8.82353
99 3LKJ LKJ 8.82353
100 3B6R ADP 8.82353
101 5LFV SIA GAL NAG 8.82353
102 4NVQ SAH 8.82353
103 3KLJ FAD 8.82353
104 1D4O NAP 8.82353
105 6F7L FAD 8.82353
106 2WOX NDP 8.82353
107 2XG5 EC2 8.82353
108 2XG5 EC5 8.82353
109 2J9C ATP 8.82353
110 1UYY BGC BGC 9.67742
111 5KJW 53C 9.67742
112 6BC3 SIS 9.67742
113 6BC3 COA 9.67742
114 4PXL NAD 9.67742
115 1Y7P RIP 9.67742
116 2Z3U CRR 9.67742
117 4RT1 C2E 9.67742
118 2IHK CSF 9.67742
119 2GMH UQ5 10.2941
120 4J7H TLO 10.2941
121 2GU8 796 10.2941
122 2I8T GDD 10.2941
123 1KPG SAH 10.2941
124 5Y72 DST 10.2941
125 4J7H TRH 10.2941
126 1KPH SAH 10.2941
127 5X1M DHB 10.2941
128 2VEG PMM 10.2941
129 5C5H 4YB 10.2941
130 3E2M E2M 10.2941
131 2Y5D NAP 11.2903
132 5XLY C2E 11.2903
133 5Y4R C2E 11.2903
134 3LVW GSH 11.2903
135 5WS9 OXL 11.2903
136 1S3K FUC GAL NDG FUC 11.2903
137 1PVN MZP 11.2903
138 5O98 NAP 11.2903
139 3LU1 NAD 11.2903
140 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 11.2903
141 3FYS PLM 11.7647
142 3HUJ AGH 11.7647
143 3ACL 3F1 11.7647
144 4WO4 JLS 11.7647
145 4BV6 FAD 11.7647
146 5N2F 8HW 11.7647
147 1TPY SAH 11.7647
148 4DPL NAP 11.7647
149 1BXK NAD 11.7647
150 4Z24 FAD 11.7647
151 1JQ3 AAT 11.7647
152 1OBV FMN 11.7647
153 3DUW SAH 11.7647
154 1S4M LUM 11.7647
155 2BLE 5GP 11.7647
156 3CM2 X23 11.7647
157 4NES UD1 11.7647
158 3G5D 1N1 12.9032
159 1DL5 SAH 12.9032
160 4XTX 590 12.9032
161 3I3X U22 12.9032
162 4II2 ATP 12.9032
163 1TKB N1T 12.9032
164 4K5S FAD 12.9032
165 1UJP CIT 12.9032
166 3NZ1 3NY 12.9032
167 4I3V NAD 12.9032
168 4PZ2 NAD 12.9032
169 1JG3 ADN 13.2353
170 5FLJ QUE 13.2353
171 5W10 CMP 13.2353
172 1CLU DBG 13.2353
173 5JJU AMP 13.2353
174 4NS3 NAD 13.2353
175 5TUZ SAM 13.2353
176 5TUZ 7L6 13.2353
177 5CUQ NSC 13.2353
178 5IUW IAC 13.2353
179 4ZUL UN1 13.2353
180 5IUW NAD 13.2353
181 5KWW 6YA 14.5161
182 5U61 7WG 14.5161
183 1HXD BTN 14.5161
184 1G0N NDP 14.5161
185 6CI9 NAP 14.5161
186 5XDT ZI7 14.5161
187 1WPY BTN 14.7059
188 2DXU BT5 14.7059
189 4WAS COO 14.7059
190 4GLW NMN 14.7059
191 5ANU 58T 14.7059
192 1GT4 UNA 14.7059
193 2QE0 NAP 16.129
194 6B5G NAD 16.129
195 6B5G CQY 16.129
196 3MVH WFE 16.129
197 6FRN FMN 16.129
198 4WOE ADP 16.129
199 2GKS ADP 16.129
200 4EJN 0R4 16.129
201 2WQP WQP 16.129
202 2IRY DGT 16.129
203 5U3B 7TD 16.129
204 5VEG FMN 16.129
205 5WL1 CUY 16.1765
206 5WL1 D3D 16.1765
207 3HVJ 705 16.1765
208 1T90 NAD 16.1765
209 3E85 BSU 16.1765
210 2ICK DMA 16.1765
211 3GRU AMP 16.1765
212 3X0D SAH 17.6471
213 5L13 6ZE 17.6471
214 2XCG XCG 17.6471
215 5U98 1KX 17.6471
216 3C3N FMN 17.6471
217 4BG4 ADP 17.6471
218 4L2I FAD 17.6471
219 3GGO NAI 17.6471
220 2O07 MTA 17.6471
221 2O07 SPD 17.6471
222 5AYT L6Y 17.7419
223 1XOC VAL ASP SER LYS ASN THR SER SER TRP 17.7419
224 4ONA UW1 17.7419
225 43CA NPO 17.7419
226 2OHH FMN 17.7419
227 6DQU GLY ILE ILE ASN THR LEU 19.1176
228 1P1C SAH 19.1176
229 4LGY ADP 19.1176
230 5N5D SAM 19.1176
231 3PVW QRX 19.1176
232 5WXU FLC 19.3548
233 4B0T ADP 20.5882
234 3N39 FMN 20.5882
235 5XFV FMN 20.5882
236 1TLL FMN 20.5882
237 5BVE 4VG 20.9677
238 2IU8 PLM 20.9677
239 3ILR SGN IXD 20.9677
240 2XGT NSS 20.9677
241 1M15 ADP 20.9677
242 1M15 ARG 20.9677
243 2YVJ NAI 20.9677
244 5F3I 5UJ 20.9677
245 3GAY P6T 20.9677
246 2ZRU FMN 20.9677
247 3H0L ADP 22.0588
248 4C4A SAH 22.0588
249 4L3L 5FI 22.0588
250 4FZV SAM 22.0588
251 1B1C FMN 22.0588
252 2ART LPA AMP 22.5806
253 1OVD FMN 22.5806
254 1OVD ORO 22.5806
255 2PWY SAH 23.5294
256 4KBA 1QM 23.5294
257 3FPF MTA 24.1935
258 3FPF TNA 24.1935
259 2Z1U ATP 24.1935
260 1AG9 FMN 24.1935
261 5KF6 NAD 25
262 2BJK NAD 25
263 4LH0 GLV 25
264 5VJE GOS 25
265 5JE8 NAD 25
266 6ECT SAM 25
267 5X8G S0N 25.8065
268 3O61 GDD 25.8065
269 5JFL NAD 25.8065
270 5GS9 ARG 25.8065
271 3HAZ NAD 25.8065
272 3TAO PGH 25.8065
273 3JZ4 NAP 26.4706
274 2ISJ FMN 26.4706
275 1AKV FMN 26.4706
276 1K7W AS1 27.4194
277 2EWM NAD 27.4194
278 5LXT GTP 29.0323
279 3G2O SAM 29.0323
280 2RCU BUJ 29.0323
281 3IES M24 29.0323
282 3DLG GWE 29.4118
283 5EY9 5SV 29.4118
284 3A7R LAQ 30.6452
285 6E1Q CFA 30.6452
286 5L2M 6ZY 30.6452
287 4JNA FAD 30.6452
288 3E9I XAH 30.6452
289 5HW4 SAM 30.6452
290 1KY8 NAP 30.8824
291 5GXU FMN 30.8824
292 5U19 827 32.2581
293 5U19 SAH 32.2581
294 4WNK 453 32.2581
295 2YB9 HA0 32.2581
296 5FPE 3TR 35.2941
297 1LSH PLD 35.4839
298 2D4V NAD 36.7647
299 1XKD NAP 36.7647
300 2RKV ZBA 38.7097
301 2FY3 CHT 42.6471
Pocket No.: 2; Query (leader) PDB : 3IWD; Ligand: M2T; Similar sites found with APoc: 131
This union binding pocket(no: 2) in the query (biounit: 3iwd.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1NAA ABL None
2 2XMY CDK None
3 1NAA 6FA None
4 6ALW BMJ None
5 5L2R MLA None
6 6G9I CXX None
7 4F7E 0SH None
8 1BTN I3P None
9 4Z87 5GP None
10 6E2B PT7 None
11 5FA8 SAM None
12 1U7Z PMT 3.53982
13 5DQ8 FLF 4.41176
14 3A27 SAM 4.41176
15 4N65 FMN 4.41176
16 4TXE 38F 4.41176
17 3KPB SAM 4.41176
18 4A22 TD4 4.41176
19 1AL8 DHP 4.41176
20 1AL8 FMN 4.41176
21 2C6Q NDP 4.83871
22 4CQE CQE 4.83871
23 2C6Q IMP 4.83871
24 3TPV ADE 4.83871
25 1EQ2 NAP 4.83871
26 3NC9 TR3 4.83871
27 4M37 SAH 5.88235
28 5DEP UD1 5.88235
29 1DCP HBI 5.88235
30 2CJU PHX 5.88235
31 1HG4 LPP 6.45161
32 4YMH SAH 7.35294
33 5TVA COA 7.35294
34 2VG1 FPP 7.35294
35 4R74 F6P 7.35294
36 5B4T NAD 8.06452
37 5B4T 3HR 8.06452
38 3FPZ AHZ 8.06452
39 2H21 SAM 8.06452
40 5O3Q CMP 8.06452
41 5H4S RAM 8.06452
42 3FW4 CAQ 8.06452
43 2YAK OSV 8.06452
44 5DX8 SFG 8.82353
45 5EJL C2E 8.82353
46 4NVQ 2OD 8.82353
47 5DLY 5D7 8.82353
48 5DLY SAH 8.82353
49 5OJI ISN 8.82353
50 5OJI NAP 8.82353
51 4IXH IMP 8.82353
52 4OYA 1VE 9.67742
53 1H82 FAD 9.67742
54 3LF0 ATP 9.67742
55 3F5A SIA GAL NAG 9.67742
56 4XUC SAM 10.2941
57 4XUC 43G 10.2941
58 3GDH SAH 10.2941
59 1N07 FMN 10.2941
60 4A0M NAD 10.2941
61 6MVU K4V 10.2941
62 1M5W DXP 10.2941
63 4BLW SAH 11.2903
64 5UCD NAP 11.2903
65 3NKS ACJ 11.2903
66 3VHE 42Q 11.2903
67 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 11.2903
68 4ASE AV9 11.2903
69 1O9J NAD 11.7647
70 2OFV 242 11.7647
71 4U0I 0LI 11.7647
72 3RHJ NAP 11.7647
73 5BQS 4VN 11.7647
74 1OFL NGK GCD 11.7647
75 3MB5 SAM 12.9032
76 1F5F DHT 12.9032
77 6BWL NAD 13.2353
78 4A62 ANP 13.2353
79 6FA4 D1W 13.2353
80 4OE4 NAD 13.2353
81 5ZW3 SAH 14.5161
82 6FK3 PPI 14.5161
83 3NDJ SAH 14.5161
84 3NDJ JHZ 14.5161
85 5T67 JHZ 14.5161
86 5T67 SAH 14.5161
87 5BSR AMP 14.5161
88 5XDT MB3 14.5161
89 4G1V FAD 14.7059
90 3Q87 SAM 16.129
91 4BWL MN9 16.129
92 3O0Q TTP 16.1765
93 3O0Q GDP 16.1765
94 3O0Q ADN 16.1765
95 2GJ5 VD3 16.1765
96 3A5Y KAA 16.1765
97 5EIN NAP 16.1765
98 3LXK MI1 17.6471
99 1IZC PYR 17.6471
100 2JHP SAH 17.6471
101 3DOO SKM 17.6471
102 4BG4 ARG 17.6471
103 3MJY FMN 17.6471
104 3MJY IJZ 17.6471
105 1RP0 AHZ 17.7419
106 2ZE3 AKG 17.7419
107 5UKL SIX 19.1176
108 5N5U 7N8 19.1176
109 1TLL NAP 20.5882
110 4RF7 ARG 20.5882
111 4FWE FAD 20.9677
112 4GUS FAD 20.9677
113 3KLL MAL 22.5806
114 4I9B NAD 22.5806
115 2PZM UDP 23.5294
116 2PZM NAD 23.5294
117 3C56 PH4 24.1935
118 3IWJ NAD 24.1935
119 1PHP ADP 24.1935
120 3GZ8 APR 24.1935
121 3SMA ACO 25
122 5TUF TDC 25.8065
123 3AY6 NAI 25.8065
124 4CNK FAD 25.8065
125 4YWV SSN 26.4706
126 3A4T SFG 27.4194
127 1PI5 SM2 27.4194
128 2NYA MGD 29.4118
129 4I8P NAD 30.6452
130 1NB9 RBF 35.4839
131 1NB9 ADP 35.4839
Pocket No.: 3; Query (leader) PDB : 3IWD; Ligand: M2T; Similar sites found with APoc: 258
This union binding pocket(no: 3) in the query (biounit: 3iwd.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2AZ5 307 None
2 2UX9 FMN None
3 3KH5 ADP None
4 1ERB ETR None
5 5VC5 96M None
6 5DEY 59T None
7 6EOA FMN None
8 1JYQ MAZ PTR PTM ASN None
9 4RLE 2BA None
10 5C2N NAG None
11 1LOR BMP None
12 4HEQ FMN None
13 1HSK FAD None
14 1QD0 RR6 None
15 2XWL CTP None
16 5VL2 9EG None
17 5TWJ SAM None
18 4HIA FMN None
19 3NGL NAP None
20 2DT5 NAD None
21 1RLJ FMN None
22 3N0S ACO None
23 5EFW FMN None
24 5TA6 79D None
25 2QTR NXX None
26 1LOB MMA None
27 4CO3 ATP None
28 1QY1 PRZ None
29 5L83 ASP TRP GLU ILE VAL None
30 1PNO NAP 2.94118
31 4RFM 3P6 2.94118
32 5ZAI COA 2.94118
33 3OZ2 FAD 2.94118
34 1GQG DCD 3.22581
35 3TWD GOB 4.41176
36 2QK4 ATP 4.41176
37 5MJA 7O3 4.41176
38 1WY7 SAH 4.41176
39 3FUU ADN 4.83871
40 1EQ2 ADQ 4.83871
41 4XV1 904 4.83871
42 6GAQ FMN 4.83871
43 4Q0P 0MK 5.88235
44 3KIH GDL 5.88235
45 5LYH 7B8 5.88235
46 1SOX MTE 5.88235
47 1A59 COA 5.88235
48 2A9D MTE 5.88235
49 1IIU RTL 5.88235
50 6BJO DUY 6.45161
51 6GWR FEW 6.45161
52 5LUN OGA 7.35294
53 6MB9 COA 7.35294
54 6MB9 NMY 7.35294
55 5V59 8X1 7.35294
56 3O84 HTJ 7.35294
57 3E1T FAD 7.35294
58 2CXG GLC G6D ACI GLC 7.35294
59 4E5N NAD 7.35294
60 5WM2 SAL 7.35294
61 2VD9 IN5 7.35294
62 2VD9 EPC 7.35294
63 4MCC 21X 8.06452
64 2E0N SAH 8.06452
65 5KD6 LBU 8.06452
66 1H5Q NAP 8.06452
67 5KD6 6C7 8.06452
68 4RRG A3T 8.06452
69 6B3V ANP 8.82353
70 6B3V 7DQ 8.82353
71 6ARJ BW4 8.82353
72 6ARJ SAH 8.82353
73 2IID FAD 8.82353
74 2IID PHE 8.82353
75 5XWV NDP 8.82353
76 5DWQ SFG 8.82353
77 4U31 MVP 8.82353
78 1MDB AMP DBH 8.82353
79 1GZ4 ATP 8.82353
80 1XVV CCQ 8.82353
81 4O9S 2RY 8.82353
82 5VCV 1N1 8.82353
83 4HWT 1B2 9.67742
84 3HCN CHD 9.67742
85 4HWS 1B3 9.67742
86 5BUK FAD 9.67742
87 5UL4 SAM 9.67742
88 1C1X HFA 9.67742
89 5IOK ACE GLN THR ALA ARG KCR SER THR 9.67742
90 5L9N ATP 9.67742
91 3LXD FAD 9.67742
92 5WDR GNP 9.67742
93 2HJR APR 9.67742
94 3ZXR IQ1 10.2941
95 3ZXR P3S 10.2941
96 2BJU IH4 10.2941
97 1PN4 HDC 10.2941
98 2IVD ACJ 10.2941
99 1KYQ NAD 10.2941
100 5UAV NDP 10.2941
101 3KRB NAP 10.2941
102 4M73 SAH 10.2941
103 4M73 M72 10.2941
104 2HK5 1BM 10.2941
105 3DAA PDD 10.2941
106 5VAD 91Y 10.2941
107 5ZHW DAL DAL 10.2941
108 1SSQ CYS 10.2941
109 2P1M IHP 11.2903
110 1IYE PGU 11.2903
111 2G86 UMP 11.2903
112 5HWV MBN 11.2903
113 2GJ3 FAD 11.2903
114 3T4L ZEA 11.2903
115 2AMT 1AA 11.2903
116 2P1O IHP 11.2903
117 2P1O NLA 11.2903
118 2YYE APC 11.2903
119 5J5R 6G1 11.2903
120 5J5R IMP 11.2903
121 1B7Y FYA 11.2903
122 2FJK 13P 11.7647
123 5OQW A4E 11.7647
124 4EMI FAD 11.7647
125 4EMI NAD 11.7647
126 1MKY GDP 11.7647
127 4GAH 0ET 11.7647
128 1GUA GNP 11.7647
129 5MU6 MYA 12.9032
130 5MU6 KFK 12.9032
131 2VSL MAA LYS PRO PHE 12.9032
132 2J3M PRI 12.9032
133 4C81 CDP 12.9032
134 5XIJ 873 12.9032
135 4K5S PM0 12.9032
136 2J3M ATP 12.9032
137 1YKJ FAD 12.9032
138 5XIJ ANP 12.9032
139 4PU5 ANP 12.9032
140 3VZS CAA 13.2353
141 6EHH 2GE 13.2353
142 1IA9 ANP 13.2353
143 5OCG 9R5 13.2353
144 1QHG ATP 13.2353
145 2BII MTV 13.2353
146 3VZS NAP 13.2353
147 1YY5 FAD 13.2353
148 1X54 4AD 13.2353
149 4U03 GTP 14.5161
150 4U03 TLL 14.5161
151 5BSR COA 14.5161
152 1P9P SAH 14.5161
153 3K56 IS3 14.5161
154 4I6H 1C8 14.5161
155 4DXD 9PC 14.5161
156 1CER NAD 14.5161
157 5XDT GDP 14.5161
158 2QFY AKG 14.5161
159 1PG4 COA 14.7059
160 1PG4 PRX 14.7059
161 5IXG OTP 14.7059
162 1CTU ZEB 14.7059
163 1G51 AMO 14.7059
164 1U1I NAD 14.7059
165 2Z3N PHE ARG TYR LEU GLY 14.7059
166 2POC UD1 14.7059
167 5JCM ISD 16.1765
168 5JCM FAD 16.1765
169 5GSN FAD 16.1765
170 5GSN MMZ 16.1765
171 5GSN NAP 16.1765
172 5BVA FAD 16.1765
173 3A5Z KAA 16.1765
174 3NJ4 NAD 16.1765
175 4IGQ THR M3L GLN 16.1765
176 4NFN 2KC 16.1765
177 1I52 CTP 17.6471
178 1B7H LYS NLE LYS 17.6471
179 4X9X OLA 17.6471
180 2QIA U20 17.7419
181 5N0J FAD 17.7419
182 1GTE FAD 17.7419
183 3LOO B4P 17.7419
184 1GQ2 NAP 17.7419
185 5X68 FAD 17.7419
186 6EL3 NAP 17.7419
187 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 19.1176
188 4EMJ FAD 19.1176
189 1XCL SAH 19.1176
190 2DJH 3PD UM3 19.1176
191 5LJI FMN 19.1176
192 6D6L FY4 19.1176
193 3BC1 GNP 19.1176
194 3N5B ADP 19.1176
195 6BQ6 TER 19.3548
196 4ASJ N6A 19.3548
197 5DBV COA 19.3548
198 3VZ3 NAP 19.3548
199 1LVL FAD 20.5882
200 5ECP MET 20.5882
201 5ECP ATP 20.5882
202 5ECP JAA 20.5882
203 4QMN DB8 20.5882
204 2NP9 YE1 20.5882
205 2Y8L ADP 20.9677
206 2Y8L AMP 20.9677
207 2V92 ATP 20.9677
208 2V92 AMP 20.9677
209 4B63 FAD 20.9677
210 4B63 NAP 20.9677
211 4B63 ORN 20.9677
212 4M1U MBG A2G 20.9677
213 3PD2 A3S 20.9677
214 3AB4 LYS 20.9677
215 3UW4 MAA CHG PRO 0DQ 20.9677
216 4JUI EGR 20.9677
217 1N62 MCN 22.0588
218 1HV9 COA 22.5806
219 2QA1 FAD 22.5806
220 5KJK 6T1 23.5294
221 5KJK SAM 23.5294
222 4WCX ALA 23.5294
223 5W4W 9WG 23.5294
224 2G50 PYR 23.5294
225 4NTC FAD 24.1935
226 3DXY SAM 24.1935
227 3VIU ADP 24.1935
228 2ZTG A5A 24.1935
229 1OPK P16 24.1935
230 2CVZ NDP 25
231 1WP4 NDP 25
232 4DQL NAP 25
233 2BSA FAD 25.8065
234 1UWZ THU 25.8065
235 1RWQ 5AP 25.8065
236 1HEX NAD 25.8065
237 4BMO FMN 25.8065
238 2CDU FAD 26.4706
239 3AB1 FAD 26.4706
240 5VN0 FAD 27.4194
241 4B3J COA 27.4194
242 6GW1 CHO 27.4194
243 2FR1 NDP 27.9412
244 5DB3 58Q 29.0323
245 5SZH GNP 29.0323
246 5O74 GDP 29.0323
247 4DQ2 BTX 29.4118
248 2E5A LAQ 29.4118
249 1V8B NAD 32.3529
250 5HZX 2GE 33.8235
251 2AJ4 ANP 33.871
252 1UP7 NAD 35.4839
253 2ZOF BES 37.0968
254 3X0V FAD 38.2353
255 2RKV COA 38.7097
256 2OQ2 A3P 40.3226
257 4YUW S4M 45.1613
258 4YUW 4JU 45.1613
Pocket No.: 4; Query (leader) PDB : 3IWD; Ligand: M2T; Similar sites found with APoc: 112
This union binding pocket(no: 4) in the query (biounit: 3iwd.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4G31 0WH None
2 1QL9 ZEN None
3 5IXH OTP None
4 1XUJ BOZ None
5 2E5V FAD None
6 3MQG ACO None
7 4R38 RBF None
8 1YB5 NAP None
9 3F5O UOC COA None
10 1YZQ GNP None
11 2Y8E GNP None
12 5T7I LAT NAG GAL 2.94118
13 3KV8 FAH 2.94118
14 5NKB 8ZT 4.41176
15 2X2M X2M 4.41176
16 1DUB CAA 4.41176
17 2Y6O 1N1 4.41176
18 3GD4 NAD 4.83871
19 2X6T NAP 4.83871
20 2VZ0 D64 4.83871
21 2VZ0 NAP 4.83871
22 3DNT ATP 4.83871
23 3G89 SAM 4.83871
24 5DYO FLU 4.83871
25 5UIU 8CG 6.45161
26 5EW9 5VC 7.35294
27 1NV8 MEQ 7.35294
28 5WM2 AMP 7.35294
29 2D1S SLU 7.35294
30 3JQQ A2P 7.35294
31 2BRY FAD 7.35294
32 1V59 NAD 8.82353
33 5TTJ FAD 8.82353
34 4YKG NAD 9.67742
35 5J5Z FAD 9.67742
36 1OBB NAD 9.67742
37 4R5M 4NO 9.67742
38 4R5M NAP 9.67742
39 5YU3 NAD 9.67742
40 5YU3 PRO 9.67742
41 1GS5 NLG 9.67742
42 1GS5 ANP 9.67742
43 1REO FAD 10.2941
44 2IVD FAD 10.2941
45 4O33 3PG 10.2941
46 4O33 TZN 10.2941
47 5VW2 NAP 10.2941
48 5VW2 FDA 10.2941
49 5UAV TFB 10.2941
50 3LZW FAD 10.2941
51 4JK3 NAD 10.2941
52 4CSV STI 10.2941
53 6F97 FAD 11.2903
54 1QPG MAP 11.2903
55 2NS1 ADP 11.2903
56 1PN0 IPH 11.2903
57 1E6E FAD 11.2903
58 1PN0 FAD 11.2903
59 5TS5 FAD 11.7647
60 4RVG SAM 11.7647
61 4RVG TYD 11.7647
62 5DN9 NAD 11.7647
63 5LIA 6XN 11.7647
64 5O96 SAM 11.7647
65 6EWZ APC 12.9032
66 5GQX GLC GLC GLC GLC GLC GLC GLC 12.9032
67 5UR1 YY9 13.2353
68 4K81 GTP 13.2353
69 1RSG FAD 13.2353
70 1GPE FAD 13.2353
71 1DJN ADP 13.2353
72 3EM0 CHD 14.5161
73 2C78 PUL 14.5161
74 3PP0 03Q 14.5161
75 5MLR GRQ 14.7059
76 5MLR NAP 14.7059
77 5GOE GDP 14.7059
78 4PNE SAH 14.7059
79 5FNU L6I 14.7059
80 5KOX FAD 16.129
81 5KOX RFP 16.129
82 5CCM SAM 16.129
83 2ZMF CMP 16.1765
84 6EJI UD2 16.1765
85 3TNF GNP 17.6471
86 1VPV PLM 17.7419
87 6AIN FAD 17.7419
88 6GAS FAD 17.7419
89 1I2L DCS 17.7419
90 5F7R GLC GLC 19.1176
91 3VZ3 SSN 19.3548
92 5Y77 FAD 19.3548
93 4O97 NTX 20.9677
94 3OND NAD 22.0588
95 3OND ADN 22.0588
96 2Q7V FAD 22.0588
97 5ODQ FAD 22.5806
98 4TM3 FAD 23.5294
99 1Y8Q ATP 23.5294
100 1EM6 CP4 24.1935
101 3FD5 AP2 24.1935
102 3DWQ NGC GAL NGA POL AZI 25.8065
103 2BSA NAP 25.8065
104 2GVC FAD 25.8065
105 2GV8 FAD 25.8065
106 2V6G NAP 26.4706
107 5VN0 NAI 27.4194
108 4C3Y FAD 27.4194
109 4C3Y ANB 27.4194
110 1E1O LYS 27.4194
111 1YZN GNP 27.4194
112 4MTI 2DX 27.9412
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