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 THIOADENOSINE THERMOTOGA MARITIMA AUTOCATALYTIC CLEAVAGE DECARBOXYLASE LYASE POLYAMINE BIOSYNTHESIS PYRUVATE S-ADENOSYL-L-METHIONINE SCHIFF BASE SPERMIDINE BIOSYNTHESIS ZYMOGEN
Ref.: COMPLEXES OF THERMOTOGA MARITIMAS-ADENOSYLMETHIONINE DECARBOXYLASE PROVIDE INSIGHTS INTO SUBSTRATE SPECIFICITY. 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 THIOADENOSINE THERMOTOGA MARITIMA AUTOCATALYTIC CLEAVAGE DECARBOXYLASE LYASE POLYAMINE BIOSYNTHESIS PYRUVATE S-ADENOSYL-L-METHIONINE SCHIFF BASE SPERMIDINE BIOSYNTHESIS ZYMOGEN
Ref.: COMPLEXES OF THERMOTOGA MARITIMAS-ADENOSYLMETHIONINE DECARBOXYLASE PROVIDE INSIGHTS INTO SUBSTRATE SPECIFICITY. 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: 247
No: Ligand ECFP6 Tc MDL keys Tc
1 M2T 1 1
2 XYA 0.741379 0.828571
3 ADN 0.741379 0.828571
4 RAB 0.741379 0.828571
5 S4M 0.720588 0.844156
6 5N5 0.716667 0.828571
7 A4D 0.704918 0.855072
8 5CD 0.704918 0.84058
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 ZAS 0.614286 0.797297
17 AMP 0.614286 0.753247
18 A 0.614286 0.753247
19 S7M 0.6125 0.828947
20 SMM 0.6125 0.868421
21 ABM 0.611111 0.779221
22 6RE 0.605634 0.766234
23 SRA 0.605634 0.7375
24 AMP MG 0.597222 0.75641
25 DSH 0.597222 0.8
26 AOC 0.597222 0.830986
27 A12 0.594595 0.707317
28 AP2 0.594595 0.707317
29 A3N 0.589041 0.819444
30 J7C 0.589041 0.753247
31 A2D 0.589041 0.734177
32 5AS 0.586667 0.685393
33 GJV 0.581081 0.75641
34 BA3 0.573333 0.734177
35 MHZ 0.571429 0.765432
36 M33 0.571429 0.769231
37 GEK 0.571429 0.837838
38 ADP 0.565789 0.734177
39 AP5 0.565789 0.734177
40 B4P 0.565789 0.734177
41 ACP 0.564103 0.716049
42 5X8 0.564103 0.84507
43 7D7 0.5625 0.75
44 Y3J 0.560606 0.757143
45 AN2 0.558442 0.725
46 A7D 0.558442 0.833333
47 SON 0.558442 0.707317
48 APC 0.556962 0.707317
49 PRX 0.556962 0.759494
50 CA0 0.551282 0.716049
51 ADP MG 0.551282 0.746835
52 ADX 0.551282 0.705882
53 AU1 0.551282 0.716049
54 ADV 0.55 0.707317
55 RBY 0.55 0.707317
56 SA8 0.55 0.826667
57 EEM 0.548781 0.828947
58 SFG 0.544304 0.780822
59 ADP BEF 0.544304 0.728395
60 BEF ADP 0.544304 0.728395
61 ATP 0.544304 0.734177
62 50T 0.544304 0.725
63 5FA 0.5375 0.734177
64 APR 0.5375 0.734177
65 AQP 0.5375 0.734177
66 AR6 0.5375 0.734177
67 ACQ 0.536585 0.716049
68 3AM 0.534247 0.717949
69 A3G 0.533333 0.783784
70 NEC 0.533333 0.777778
71 A5D 0.530864 0.819444
72 SAP 0.530864 0.719512
73 ADP PO3 0.530864 0.776316
74 AD9 0.530864 0.716049
75 AGS 0.530864 0.719512
76 5AL 0.53012 0.746835
77 3AD 0.529412 0.814286
78 SAI 0.52439 0.786667
79 SAH 0.52439 0.821918
80 ATP MG 0.52439 0.746835
81 G5A 0.52439 0.666667
82 A5A 0.52381 0.709302
83 GAP 0.518072 0.7375
84 TAT 0.518072 0.728395
85 ANP 0.518072 0.716049
86 AAT 0.511905 0.75641
87 54H 0.511628 0.732558
88 52H 0.511628 0.724138
89 VMS 0.511628 0.732558
90 ADP ALF 0.505882 0.719512
91 ATF 0.505882 0.707317
92 ALF ADP 0.505882 0.719512
93 TSB 0.505747 0.701149
94 DAL AMP 0.505747 0.769231
95 53H 0.505747 0.724138
96 A3S 0.5 0.794521
97 5SV 0.5 0.722892
98 VO4 ADP 0.5 0.746835
99 SSA 0.5 0.666667
100 SRP 0.5 0.707317
101 8QN 0.5 0.746835
102 ADP VO4 0.5 0.746835
103 2AM 0.5 0.708861
104 ANP MG 0.5 0.719512
105 LSS 0.494382 0.727273
106 4AD 0.494382 0.719512
107 PAJ 0.494382 0.756098
108 0UM 0.494382 0.769231
109 A3P 0.493671 0.730769
110 QQX 0.493333 0.679012
111 CC5 0.492537 0.826087
112 62X 0.488889 0.820513
113 NVA LMS 0.488889 0.707865
114 A22 0.488636 0.725
115 5CA 0.488636 0.666667
116 MAP 0.488636 0.698795
117 A3T 0.487805 0.830986
118 QQY 0.486842 0.6875
119 ACK 0.486842 0.701299
120 7D5 0.486486 0.679012
121 K15 0.483516 0.772152
122 LEU LMS 0.483516 0.747126
123 OAD 0.483516 0.7375
124 S8M 0.483146 0.789474
125 25A 0.483146 0.734177
126 OOB 0.483146 0.725
127 OVE 0.480519 0.703704
128 26A 0.478873 0.871429
129 PR8 0.478261 0.666667
130 AMO 0.477778 0.707317
131 NSS 0.477778 0.685393
132 A1R 0.477778 0.690476
133 DSZ 0.477778 0.666667
134 ADQ 0.477778 0.716049
135 CMP 0.475 0.736842
136 2BA 0.475 0.727273
137 1ZZ 0.473118 0.697674
138 NB8 0.473118 0.682353
139 SXZ 0.473118 0.853333
140 3OD 0.473118 0.7375
141 TXA 0.473118 0.728395
142 ME8 0.473118 0.759036
143 PTJ 0.473118 0.765432
144 AHX 0.472527 0.682353
145 00A 0.472527 0.690476
146 DLL 0.472527 0.725
147 MYR AMP 0.468085 0.717647
148 SP1 0.467532 0.7125
149 RP1 0.467532 0.7125
150 A6D 0.467391 0.75
151 3UK 0.467391 0.716049
152 ADP BMA 0.467391 0.7375
153 3L1 0.464789 0.756757
154 3D1 0.464789 0.756757
155 MTP 0.464789 0.783784
156 LAD 0.462366 0.674419
157 P5A 0.462366 0.638298
158 A A 0.462366 0.75641
159 KAA 0.462366 0.645161
160 WAQ 0.462366 0.690476
161 GSU 0.462366 0.666667
162 PAP 0.458824 0.721519
163 2FA 0.458333 0.773333
164 YAP 0.458333 0.698795
165 6MD 0.458333 0.842857
166 FYA 0.457447 0.725
167 BIS 0.457447 0.690476
168 JB6 0.457447 0.710843
169 A2P 0.45679 0.717949
170 7MC 0.456311 0.662921
171 D3Y 0.455556 0.773333
172 TYR AMP 0.453608 0.728395
173 YSA 0.453608 0.666667
174 KB1 0.452632 0.746835
175 25L 0.452632 0.725
176 2VA 0.452381 0.859155
177 5F1 0.452055 0.739726
178 PLP AAD 0.449541 0.767442
179 9SN 0.447917 0.682353
180 7D3 0.444444 0.662651
181 ATP A A A 0.443299 0.766234
182 FA5 0.443299 0.707317
183 PPS 0.443182 0.686047
184 NVA 2AD 0.44186 0.797297
185 7MD 0.44 0.659091
186 XAH 0.438776 0.659091
187 1DA 0.438356 0.828571
188 VRT 0.436782 0.8
189 SO8 0.436782 0.847222
190 NOC 0.43662 0.746479
191 KH3 0.435644 0.7625
192 TAD 0.435644 0.694118
193 GTA 0.435644 0.717647
194 4UV 0.434343 0.698795
195 AMP DBH 0.434343 0.7375
196 V3L 0.431818 0.734177
197 3NZ 0.431579 0.789474
198 AHZ 0.431373 0.717647
199 2A5 0.430233 0.674699
200 7C5 0.43 0.734177
201 G3A 0.43 0.682353
202 YLB 0.428571 0.681818
203 48N 0.427184 0.702381
204 YLP 0.427184 0.662921
205 AFH 0.425743 0.674419
206 4UU 0.425743 0.698795
207 G5P 0.425743 0.682353
208 AR6 AR6 0.425743 0.75641
209 ATR 0.425287 0.708861
210 7D4 0.423529 0.662651
211 UP5 0.423077 0.698795
212 4UW 0.423077 0.714286
213 AV2 0.422222 0.670732
214 4YB 0.421569 0.652174
215 OMR 0.419048 0.689655
216 WSA 0.419048 0.674157
217 ARJ 0.418919 0.732394
218 COD 0.418182 0.715909
219 LAQ 0.417476 0.678161
220 ARG AMP 0.417476 0.670455
221 AP0 0.415094 0.702381
222 4TC 0.415094 0.682353
223 YLC 0.415094 0.678161
224 LPA AMP 0.413462 0.697674
225 A2R 0.413043 0.725
226 DND 0.409524 0.728395
227 NXX 0.409524 0.728395
228 TXD 0.409524 0.710843
229 NAI 0.409524 0.690476
230 NAX 0.409524 0.666667
231 6V0 0.409524 0.682353
232 101 0.407407 0.679012
233 A A A 0.40625 0.746835
234 V1N 0.405941 0.734177
235 AF3 ADP 3PG 0.40566 0.694118
236 ALF ADP 3PG 0.40566 0.694118
237 TYM 0.40566 0.707317
238 649 0.40566 0.638298
239 TXE 0.40566 0.690476
240 LA8 ALF 3PG 0.40566 0.694118
241 T5A 0.40367 0.662921
242 UPA 0.401869 0.690476
243 AFX 0.4 0.662338
244 IVH 0.4 0.772152
245 AYB 0.4 0.674157
246 3AT 0.4 0.7125
247 CNA 0.4 0.728395
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IWD; Ligand: M2T; Similar sites found: 106
This union binding pocket(no: 1) in the query (biounit: 3iwd.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FUI APY 0.0001255 0.4799 None
2 2G30 ALA ALA PHE 0.0002978 0.44692 None
3 2HRL SIA GAL SIA BGC NGA CEQ 0.002884 0.43415 None
4 5J75 6GQ 0.004927 0.43246 None
5 2I7N ACO 0.008033 0.42937 None
6 2RDE C2E 0.005269 0.42646 None
7 1V3S ATP 0.009479 0.42392 None
8 5ALC TIQ 0.0168 0.42162 None
9 4XIZ LPP 0.02149 0.42075 None
10 3OOI SAM 0.01189 0.41886 None
11 4USI ATP 0.02082 0.40802 None
12 4CS4 AXZ 0.03917 0.41692 2.94118
13 3QXV MTX 0.0172 0.40702 2.94118
14 5BW4 SAM 0.009353 0.42764 4.41176
15 3EFS BTN 0.0129 0.41526 4.41176
16 2X4Z X4Z 0.003146 0.46676 4.83871
17 1GVF PGH 0.006491 0.41413 4.83871
18 2XOD FMN 0.02588 0.40148 4.83871
19 5LRT ADP 0.0001549 0.52348 5.88235
20 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.003492 0.43533 5.88235
21 2RGO FAD 0.04832 0.40663 5.88235
22 1NFS DED 0.01688 0.40549 5.88235
23 3OV6 MK0 0.004594 0.45413 6.45161
24 2Z9C FMN 0.004359 0.44119 6.45161
25 1NV8 SAM 0.009537 0.43598 7.35294
26 3QXQ CE5 0.01755 0.40044 7.35294
27 3H2B SAH 0.002709 0.45175 8.06452
28 1Y0G 8PP 0.01389 0.44021 8.82353
29 2IMP NAI 0.01175 0.43931 8.82353
30 5DX0 SFG 0.009453 0.43203 8.82353
31 2J9D ADP 0.00994 0.4246 8.82353
32 3KYF 5GP 5GP 0.001934 0.4198 8.82353
33 2WME NAP 0.01208 0.41671 8.82353
34 2J9D AMP 0.01197 0.41502 8.82353
35 3LKJ LKJ 0.02695 0.41432 8.82353
36 5LFV SIA GAL NAG 0.01159 0.41049 8.82353
37 2XG5 EC5 0.009589 0.4046 8.82353
38 2XG5 EC2 0.009589 0.4046 8.82353
39 1UYY BGC BGC 0.0005964 0.4644 9.67742
40 5KJW 53C 0.005434 0.42098 9.67742
41 4J7H TLO 0.005474 0.43794 10.2941
42 1RYA GDP 0.01572 0.42044 10.2941
43 4J7H TRH 0.01356 0.41594 10.2941
44 1KPH SAH 0.01848 0.4123 10.2941
45 2VEG PMM 0.008659 0.41078 10.2941
46 5C5H 4YB 0.03043 0.40661 10.2941
47 3LVW GSH 0.02206 0.42338 11.2903
48 1S3K FUC GAL NDG FUC 0.0106 0.41136 11.2903
49 3ACL 3F1 0.002529 0.44702 11.7647
50 4BV6 FAD 0.025 0.42611 11.7647
51 1TPY SAH 0.01607 0.41546 11.7647
52 1BXK NAD 0.02394 0.4147 11.7647
53 5J8O 6GZ 0.01174 0.41347 11.7647
54 3DUW SAH 0.01963 0.40767 11.7647
55 1S4M LUM 0.02988 0.40571 11.7647
56 2BLE 5GP 0.03786 0.40281 11.7647
57 4NES UD1 0.02517 0.40039 11.7647
58 3G5D 1N1 0.01721 0.44316 12.9032
59 1DL5 SAH 0.01841 0.41819 12.9032
60 3NZ1 3NY 0.00751 0.40126 12.9032
61 5FLJ QUE 0.001308 0.46987 13.2353
62 5W10 CMP 0.008433 0.42468 13.2353
63 5CUQ NSC 0.04124 0.40542 13.2353
64 5U61 7WG 0.01796 0.42824 14.5161
65 1HXD BTN 0.01821 0.40935 14.5161
66 1G0N NDP 0.04521 0.40915 14.5161
67 5XDT ZI7 0.03751 0.40177 14.5161
68 4WAS COO 0.03322 0.41466 14.7059
69 2QE0 NAP 0.006541 0.45724 16.129
70 4EJN 0R4 0.01958 0.40598 16.129
71 2WQP WQP 0.03478 0.40352 16.129
72 2IRY DGT 0.02245 0.40113 16.129
73 5L2J 6UL 0.01509 0.45248 16.1765
74 5L2J 70E 0.01585 0.45248 16.1765
75 3HVJ 705 0.008175 0.44891 16.1765
76 2ICK DMA 0.007047 0.42018 16.1765
77 1T90 NAD 0.02795 0.41347 16.1765
78 3GRU AMP 0.02735 0.40492 16.1765
79 3X0D SAH 0.004348 0.44125 17.6471
80 5U98 1KX 0.03682 0.42709 17.6471
81 3SXF BK5 0.03472 0.41056 17.7419
82 5N5D SAM 0.02512 0.40214 19.1176
83 4B0T ADP 0.0001417 0.52549 20.5882
84 3N39 FMN 0.005884 0.43971 20.5882
85 1M15 ADP 0.03135 0.41297 20.9677
86 1M15 ARG 0.03135 0.41297 20.9677
87 5F3I 5UJ 0.03361 0.40558 20.9677
88 3H0L ADP 0.00001202 0.52882 22.0588
89 4C4A SAH 0.004718 0.43943 22.0588
90 4L3L 5FI 0.008757 0.43794 22.0588
91 4FZV SAM 0.005924 0.43618 22.0588
92 2PWY SAH 0.01323 0.42142 23.5294
93 2BJK NAD 0.01023 0.44039 25
94 1B57 PGH 0.0151 0.40138 25
95 3O61 GDD 0.01234 0.42298 25.8065
96 3TAO PGH 0.01566 0.4006 25.8065
97 1K7W AS1 0.01454 0.4126 27.4194
98 3IES M24 0.04056 0.40791 29.0323
99 3A7R LAQ 0.004585 0.46033 30.6452
100 3E9I XAH 0.03025 0.40926 30.6452
101 5GXU FMN 0.01319 0.41476 30.8824
102 1LSH PLD 0.0155 0.42476 35.4839
103 2D4V NAD 0.02982 0.40708 36.7647
104 1XKD NAP 0.035 0.40464 36.7647
105 2RKV ZBA 0.02441 0.42199 38.7097
106 1PKX XMP 0.02769 0.40315 41.1765
Pocket No.: 2; Query (leader) PDB : 3IWD; Ligand: M2T; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3iwd.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3IWD; Ligand: M2T; Similar sites found: 113
This union binding pocket(no: 3) in the query (biounit: 3iwd.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XMY CDK 0.01028 0.46662 None
2 1ERB ETR 0.01482 0.42652 None
3 4YEF 4CQ 0.01766 0.42331 None
4 4HEQ FMN 0.02059 0.41083 None
5 3N0S ACO 0.03957 0.40649 None
6 1RLJ FMN 0.01791 0.40445 None
7 4CO3 ATP 0.03484 0.40103 None
8 4CS4 ANP 0.006477 0.45341 2.94118
9 1PNO NAP 0.01739 0.43092 2.94118
10 1GQG DCD 0.01856 0.40577 3.22581
11 2QK4 ATP 0.007053 0.41718 4.41176
12 5MJA 7O3 0.01313 0.40844 4.41176
13 1WY7 SAH 0.03836 0.40084 4.41176
14 4XV1 904 0.03063 0.40653 4.83871
15 3KIH GDL 0.00523 0.41958 5.88235
16 3KIF GDL 0.006926 0.41627 5.88235
17 1SOX MTE 0.02613 0.40341 5.88235
18 1A59 COA 0.03036 0.40334 5.88235
19 2VG1 FPP 0.02734 0.40117 7.35294
20 4MCC 21X 0.02023 0.41833 8.06452
21 2E0N SAH 0.01509 0.41364 8.06452
22 2WOX NDP 0.02034 0.42486 8.82353
23 5DWQ SFG 0.01291 0.41852 8.82353
24 1MDB AMP DBH 0.0184 0.41709 8.82353
25 2J9C ATP 0.03258 0.40196 8.82353
26 3LF0 ATP 0.005303 0.44275 9.67742
27 4HWT 1B2 0.007715 0.42959 9.67742
28 5BUK FAD 0.02207 0.42113 9.67742
29 5UL4 SAM 0.0103 0.41048 9.67742
30 3LXD FAD 0.03533 0.40083 9.67742
31 2BJU IH4 0.02593 0.41399 10.2941
32 1N07 FMN 0.04521 0.40632 10.2941
33 1SSQ CYS 0.0438 0.40247 10.2941
34 2P1M IHP 0.006178 0.44903 11.2903
35 1IYE PGU 0.0139 0.4275 11.2903
36 2G86 UMP 0.03736 0.42171 11.2903
37 5HWV MBN 0.01041 0.41176 11.2903
38 2AMT 1AA 0.03669 0.40184 11.2903
39 4ASE AV9 0.0393 0.40133 11.2903
40 3CM2 X23 0.004453 0.42968 11.7647
41 2OFV 242 0.03029 0.41847 11.7647
42 1MKY GDP 0.01013 0.41353 11.7647
43 4U0I 0LI 0.031 0.41223 11.7647
44 2VSL MAA LYS PRO PHE 0.005764 0.42584 12.9032
45 2J3M PRI 0.01353 0.42158 12.9032
46 2J3M ATP 0.02433 0.41186 12.9032
47 5UR1 YY9 0.02409 0.42075 13.2353
48 4DSU BZI 0.004056 0.41757 13.2353
49 1QHG ATP 0.01782 0.41279 13.2353
50 1YY5 FAD 0.04657 0.40774 13.2353
51 2WZ5 MET 0.001198 0.40642 13.2353
52 1X54 4AD 0.02996 0.40142 13.2353
53 5TUZ SAM 0.043 0.40123 13.2353
54 5TUZ 7L6 0.043 0.40123 13.2353
55 5XDT MB3 0.007252 0.4427 14.5161
56 3NDJ SAH 0.01685 0.43702 14.5161
57 3NDJ JHZ 0.01685 0.43702 14.5161
58 5BSR AMP 0.02447 0.42365 14.5161
59 5BSR COA 0.03546 0.42365 14.5161
60 1P9P SAH 0.01375 0.42167 14.5161
61 5T67 JHZ 0.03686 0.41011 14.5161
62 5T67 SAH 0.03148 0.41011 14.5161
63 3K56 IS3 0.01029 0.40946 14.5161
64 4R33 SAH 0.04725 0.40846 14.5161
65 4R33 TRP 0.04725 0.40846 14.5161
66 5XDT GDP 0.03536 0.40357 14.5161
67 1CTU ZEB 0.01393 0.41564 14.7059
68 1G51 AMO 0.01929 0.41195 14.7059
69 4WOE ADP 0.003536 0.40437 16.129
70 5JCM ISD 0.02138 0.4403 16.1765
71 5JCM FAD 0.02091 0.4403 16.1765
72 3A5Z KAA 0.02046 0.41612 16.1765
73 4IGQ THR M3L GLN 0.01547 0.40333 16.1765
74 3A5Y KAA 0.03064 0.40328 16.1765
75 1B7H LYS NLE LYS 0.04847 0.40553 17.6471
76 2QIA U20 0.001891 0.48074 17.7419
77 3LOO B4P 0.03377 0.4141 17.7419
78 2DJH 3PD UM3 0.0144 0.4144 19.1176
79 3BC1 GNP 0.03469 0.4049 19.1176
80 1TLL FMN 0.005699 0.44088 20.5882
81 2B4G FMN 0.03348 0.40486 20.5882
82 1TLL NAP 0.02351 0.40429 20.5882
83 2Y8L AMP 0.01852 0.43971 20.9677
84 2Y8L ADP 0.02018 0.43971 20.9677
85 4M1U MBG A2G 0.01974 0.41081 20.9677
86 3UW4 MAA CHG PRO 0DQ 0.01523 0.40461 20.9677
87 4JUI EGR 0.01742 0.40247 20.9677
88 4WCX ALA 0.00626 0.41229 23.5294
89 1EM6 CP4 0.01975 0.45383 24.1935
90 1AG9 FMN 0.01445 0.41305 24.1935
91 1PHP ADP 0.01614 0.41152 24.1935
92 3IWJ NAD 0.01675 0.4084 24.1935
93 3GZ8 APR 0.02593 0.40609 24.1935
94 4DQL NAP 0.04719 0.40146 25
95 2BSA FAD 0.02783 0.42973 25.8065
96 1UWZ THU 0.008957 0.42634 25.8065
97 1RWQ 5AP 0.02725 0.4144 25.8065
98 1HEX NAD 0.03367 0.41411 25.8065
99 4CNK FAD 0.02916 0.40741 25.8065
100 4BMO FMN 0.02593 0.40737 25.8065
101 2CDU FAD 0.0204 0.41903 26.4706
102 3RY8 FLC 0.01342 0.40262 27.4194
103 2RCU BUJ 0.04476 0.42585 29.0323
104 5DB3 58Q 0.02736 0.4087 29.0323
105 5SZH GNP 0.03077 0.40393 29.0323
106 4DQ2 BTX 0.02135 0.42033 29.4118
107 2E5A LAQ 0.02531 0.41239 29.4118
108 4I8P NAD 0.04387 0.40057 30.6452
109 1NB9 RBF 0.02502 0.42595 35.4839
110 1NB9 ADP 0.02502 0.42595 35.4839
111 1UP7 NAD 0.02488 0.40747 35.4839
112 2RKV COA 0.03375 0.40521 38.7097
113 2OQ2 A3P 0.02264 0.40676 40.3226
Pocket No.: 4; Query (leader) PDB : 3IWD; Ligand: M2T; Similar sites found: 41
This union binding pocket(no: 4) in the query (biounit: 3iwd.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3F5O UOC COA 0.04625 0.40555 None
2 1YZQ GNP 0.03513 0.4042 None
3 4HIA FMN 0.04925 0.40331 None
4 2X2M X2M 0.03044 0.40315 4.41176
5 3TA2 ATP 0.0369 0.40071 4.41176
6 3DNT ATP 0.02351 0.41066 4.83871
7 2XVD AS6 0.02779 0.40638 4.83871
8 5DYO FLU 0.01354 0.4003 4.83871
9 4M37 SAH 0.002523 0.45359 5.88235
10 1DCP HBI 0.003964 0.41415 5.88235
11 1TL2 NDG 0.008909 0.40713 5.88235
12 5UIU 8CG 0.04488 0.4062 6.45161
13 1NV8 MEQ 0.01083 0.43747 7.35294
14 2D1S SLU 0.04189 0.40969 7.35294
15 3JQQ A2P 0.04502 0.40239 7.35294
16 2BRY FAD 0.04381 0.40103 7.35294
17 3FW4 CAQ 0.01669 0.41686 8.06452
18 2YAK OSV 0.03788 0.40185 8.06452
19 1V59 NAD 0.005261 0.4239 8.82353
20 4MOB ADP 0.0142 0.40483 8.82353
21 1REO FAD 0.0261 0.42207 10.2941
22 2HK5 1BM 0.0185 0.41233 10.2941
23 3KRB NAP 0.03228 0.41066 10.2941
24 4JK3 NAD 0.03772 0.40564 10.2941
25 1QPG MAP 0.01938 0.41369 11.2903
26 2Y5D NAP 0.03398 0.4044 11.2903
27 1E6E FAD 0.03066 0.40323 11.2903
28 1O9J NAD 0.02695 0.41575 11.7647
29 5M6M 7H8 0.01336 0.40384 11.7647
30 1OFL NGK GCD 0.007886 0.40255 11.7647
31 4K81 GTP 0.0268 0.41027 13.2353
32 1RSG FAD 0.04368 0.40944 13.2353
33 5CCM SAM 0.04681 0.40355 16.129
34 3TNF GNP 0.03851 0.40121 17.6471
35 1VPV PLM 0.01855 0.42248 17.7419
36 5F7R GLC GLC 0.02948 0.40331 19.1176
37 5HES 032 0.03385 0.40063 25
38 2BSA NAP 0.04123 0.41441 25.8065
39 2V6G NAP 0.02882 0.41043 26.4706
40 4C3Y ANB 0.04258 0.40895 27.4194
41 1V8B NAD 0.04832 0.40099 32.3529
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